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 | |
|---|---|---|---|---|
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.49 |
| ▸ | GRIN2B known ✓ | Q13224 | 6/20 | 0.46 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.46 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.44 |
| ▸ | CACNA2D1 known ✓ | P54289 | 1/20 | 0.43 |
| ▸ | CACNA1B known ✓ | Q00975 | 1/20 | 0.43 |
| ▸ | CACNB1 known ✓ | Q02641 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | CCR2 | P41597 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1778692 | 0.99 | SMN1; SMN2 (0.53) | SMN1; SMN2NPC1RAB9ACYP2C19CCR2 | |
| SCHEMBL25339883 | 0.87 | SMN1; SMN2 (0.56) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| Hydrochloric Acid SCHEMBL29198523 | 0.86 | CACNA2D1 (0.58) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| SCHEMBL16795303 | 0.85 | CACNA2D1 (0.59) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| SCHEMBL27012546 | 0.85 | SMN1; SMN2 (0.60) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| Hydrochloric Acid SCHEMBL30121154 | 0.84 | SMN1; SMN2 (0.49) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| SCHEMBL1268121 | 0.82 | SMN1; SMN2 (0.59) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| Hydrochloric Acid SCHEMBL29161100 | 0.81 | ENPP2 (0.49) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| Hydrochloric Acid SCHEMBL29161101 | 0.81 | ENPP2 (0.49) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| SCHEMBL519648 | 0.81 | SMN1; SMN2 (0.55) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8710224-B2 | Heterocyclic compounds as CCR2B antagonists | ASTRAZENECA AB (SE) | 2014-04-29 | — | — | US | disclosed |
| US-20140038978-A1 | HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS | ASTRAZENECA AB (SE) | 2014-02-06 | — | — | US | disclosed |
| US-20120264762-A1 | Heterocyclic Compounds as CCR2 Antagonists | ASTRAZENECA AB (SE) | 2012-10-18 | — | — | US | disclosed |
| US-20110136820-A1 | Heterocyclic Compounds as CCR2 Antagonists | ASTRAZENECA AB (SE) | 2011-06-09 | — | — | US | disclosed |
| US-7943768-B2 | Piperazine compounds useful as antagonists of C-C chemokines (Ccr2b and CcrS) for the treatment of inflammatory diseases | ASTRAZENECA AB (SE) | 2011-05-17 | — | — | US | disclosed |
| US-7906645-B2 | Heterocyclic compounds as ccr2b antagonists | ASTRAZENECA AB (SE) | 2011-03-15 | — | — | US | disclosed |
| US-20090099156-A1 | Heterocyclic Compounds as Ccr2b antagonists | ASTRAZENECA AB (SE) | 2009-04-16 | — | — | US | disclosed |
| US-20080287453-A1 | Piperazine Compounds Useful as Antagonists of C-C Chemokines (Ccr2b and Ccr5) for the Treatment of Inflammatory Diseases | ASTRAZENECA AB (SE) | 2008-11-20 | — | — | 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-20120264762-A1 | Heterocyclic Compounds as CCR2 Antagonists | CCR2, CCR3, CXCR2 | KCNH2 2034/4885GRIN2B 1502/4885HTR2C 613/4885 |
| US-20110136820-A1 | Heterocyclic Compounds as CCR2 Antagonists | CCR2, CCR3, CXCR2 | KCNH2 2034/4885GRIN2B 1502/4885HTR2C 613/4885 |
| US-20140038978-A1 | HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS | CCR2, CCR3, CXCR2 | KCNH2 2490/4885GRIN2B 593/4885HTR2C 630/4885 |
| US-20090099156-A1 | Heterocyclic Compounds as Ccr2b antagonists | CCR2, CCR3, CXCR2 | KCNH2 2418/4885GRIN2B 596/4885HTR2C 619/4885 |
| US-20080287453-A1 | Piperazine Compounds Useful as Antagonists of C-C Chemokines (Ccr2b and Ccr5) for the Treatment of Inflammatory Diseases | CCR2, CCR5, CCL2 | KCNH2 1735/4885GRIN2B 902/4885HTR2C 277/4885 |
“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.