Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.48 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.48 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.48 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.46 |
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.45 |
| ▸ | CYP19A1 known ✓ | P11511 | 1/20 | 0.43 |
| ▸ | KCNA5 known ✓ | P22460 | 1/20 | 0.42 |
| ▸ | CHRNA7 known ✓ | P36544 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | CFTR | P13569 | 1/20 | 0.48 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | APEX1 | P27695 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.45 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6285618 | 1.00 | SMN1; SMN2 (0.55) | SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6074158 | 0.98 | SMN1; SMN2 (0.57) | SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1609153 | 0.98 | SMN1; SMN2 (0.57) | SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6074090 | 0.98 | SMN1; SMN2 (0.57) | SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3 | |
| Oxalic Acid SCHEMBL29615378 | 0.89 | SMN1; SMN2 (0.53) | SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL6920534 | 0.84 | SMN1; SMN2 (0.55) | SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL24919476 | 0.83 | SMN1; SMN2 (0.50) | SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL30065165 | 0.83 | SMN1; SMN2 (0.50) | SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL28924924 | 0.83 | SMN1; SMN2 (0.50) | SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL28924921 | 0.83 | SMN1; SMN2 (0.50) | SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103687858-B | The Imidazopyridazine that amino as MKNK1 kinase inhibitors substitutes | 拜耳知识产权有限责任公司 | 2017-11-21 | — | — | CN | disclosed |
| CN-103958515-B | Amino-substituted imidazopyridazines | 拜耳知识产权有限责任公司 | 2016-11-09 | — | — | CN | disclosed |
| CN-105143227-A | Substituted imidazo [1,2-B ] pyridazines as MKNK1 inhibitors | Bayer Pharma AG | 2015-12-09 | — | — | CN | disclosed |
| EP-2758401-A1 | AMINO-SUBSTITUTED IMIDAZOPYRIDAZINES | Bayer Intellectual Property GmbH (DE) | 2014-07-30 | — | — | EP | disclosed |
| CN-103958515-A | Amino-substituted imidazopyridazines | BAYER IP GMBH | 2014-07-30 | — | — | CN | disclosed |
| CN-103687858-A | Amino-substituted imidazopyridazines as MKNK1 kinase inhibitors | BAYER IP GMBH | 2014-03-26 | — | — | CN | disclosed |
| WO-2013034570-A1 | AMINO-SUBSTITUTED IMIDAZOPYRIDAZINES | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-03-14 | — | — | WO | disclosed |
| CN-100582088-C | Aminoalcohol derivatives | ASTELLAS PHARMA INC | 2010-01-20 | — | — | CN | disclosed |
| US-7417060-B2 | Aminoalcohol derivatives | ASTELLAS PHARMA INC. (JP) | 2008-08-26 | — | — | US | disclosed |
| EP-1054881-B1 | NOVEL SULFONAMIDE SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS | BAYER CORP (US) | 2008-07-30 | — | — | EP | disclosed |
| US-6919371-B2 | 2,6-substituted chroman derivatives useful as beta-3 adrenoreceptor agonists | BAYER PHARMACEUTICALS CORPORATION (US) | 2005-07-19 | — | — | US | disclosed |
| US-20050137236-A1 | Aminoalcohol derivatives | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2005-06-23 | — | — | US | disclosed |
| US-6903218-B2 | Sulfonamide substituted chroman derivatives | BAYER PHARMACEUTICALS CORPORATION (US) | 2005-06-07 | — | — | US | disclosed |
| EP-1389202-B1 | 2,6-SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS | BAYER PHARMACEUTICALS CORP (US) | 2004-09-29 | — | — | EP | disclosed |
| US-20040072843-A1 | Novel sulfonamide substituted chroman derivatives useful as beta 3 adrenoreceptor agonists | LADOUCEUR GAETAN H (US) | 2004-04-15 | — | — | US | disclosed |
| US-20040072828-A1 | 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists | BAYER PHARMACEUTICALS CORPORATION | 2004-04-15 | — | — | US | disclosed |
| US-6660752-B2 | Adrenergic blocking agents | BAYER PHARMACEUTICALS CORPORATION | 2003-12-09 | — | — | US | disclosed |
| US-20030078260-A1 | 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists | BAYER PHARMACEUTICALS CORPORATION | 2003-04-24 | — | — | US | disclosed |
| US-20030073839-A1 | Compounds useful for preparation of Beta-3 adrenoreceptor agonist | BAYER PHARMACEUTICALS CORPORATION | 2003-04-17 | — | — | US | disclosed |
| US-6051586-A | HYPOGLYCEMIC AGENTS; ANTIDIABETIC AGENTS | BAYER CORPORATION (US) | 2000-04-18 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040072843-A1 | Novel sulfonamide substituted chroman derivatives useful as beta 3 adrenoreceptor agonists | ADRB3, ADRB2, ADRB1 | SLC6A2 510/4885SLC6A4 669/4885SLC6A3 363/4885 |
| US-20040072828-A1 | 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists | ADRB3, ADRB2, ADRB1 | SLC6A2 181/4885SLC6A4 573/4885SLC6A3 267/4885 |
| US-20030073839-A1 | Compounds useful for preparation of Beta-3 adrenoreceptor agonist | ADRB3, ADRB2, ADRB1 | SLC6A2 415/4885SLC6A4 635/4885SLC6A3 289/4885 |
| US-20030078260-A1 | 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists | ADRB3, ADRB2, ADRB1 | SLC6A2 181/4885SLC6A4 573/4885SLC6A3 267/4885 |
| US-20050137236-A1 | Aminoalcohol derivatives | GPR39, PRMT9, CHRM2 | SLC6A2 3318/4885SLC6A4 3701/4885SLC6A3 2719/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.