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 | |
|---|---|---|---|---|
| ▸ | HTR3E known ✓ | A5X5Y0 | 2/20 | 0.47 |
| ▸ | HTR3B known ✓ | O95264 | 2/20 | 0.47 |
| ▸ | HTR3A known ✓ | P46098 | 2/20 | 0.47 |
| ▸ | HTR3D known ✓ | Q70Z44 | 2/20 | 0.47 |
| ▸ | HTR3C known ✓ | Q8WXA8 | 2/20 | 0.47 |
| ▸ | ACHE known ✓ | P22303 | 3/20 | 0.44 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.41 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 2/20 | 0.39 |
| ▸ | GRIN2D known ✓ | O15399 | 1/20 | 0.39 |
| ▸ | GRIN3B known ✓ | O60391 | 1/20 | 0.39 |
| ▸ | GRIN1 known ✓ | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2A known ✓ | Q12879 | 1/20 | 0.39 |
| ▸ | GRIN2B known ✓ | Q13224 | 1/20 | 0.39 |
| ▸ | GRIN2C known ✓ | Q14957 | 1/20 | 0.39 |
| ▸ | GRIN3A known ✓ | Q8TCU5 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | CASP3 | P42574 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27779938 | 0.98 | HTR3E (0.48) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| Toluene SCHEMBL10442875 | 0.78 | LMNA (0.50) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| Toluene SCHEMBL11282535 | 0.78 | NOS1 (0.43) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL27443748 | 0.75 | ALDH1A1 (0.35) | MEN1KMT2ATDP1MAPTCYP3A4 | |
| Hydrochloric Acid SCHEMBL27570550 | 0.73 | TDP1 (0.40) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL942161 | 0.73 | — | — | |
| M-Xylene SCHEMBL29091465 | 0.73 | ACHE (0.60) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL1056695 | 0.72 | ACHE (0.58) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL1405327 | 0.72 | MEN1 (0.67) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL11981455 | 0.72 | MEN1 (0.67) | HTR3EHTR3BHTR3AHTR3DHTR3C |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102015723-B | Inhibitors of protein tyrosine kinase activity | METHYLGENE INC | 2014-07-30 | — | — | CN | disclosed |
| CN-102827082-A | Thienopyrazole derivative having PDE7 inhibitory activity | DAIICHI SANKYO CO LTD | 2012-12-19 | — | — | CN | disclosed |
| CN-1976938-B | Thienopyrazole derivatives having PDE7 inhibitory activity | DAIICHI SANKYO CO LTD | 2012-08-15 | — | — | CN | disclosed |
| CN-102161663-A | Inhibitors of protein tyrosine kinase activity | METHYLGENE INC | 2011-08-24 | — | — | CN | disclosed |
| CN-102015728-A | Thiazolyl-dihydro-indazoles | BOEHRINGER INGELHEIM INT | 2011-04-13 | — | — | CN | disclosed |
| CN-102015723-A | Inhibitors of protein tyrosine kinase activity | METHYLGENE INC | 2011-04-13 | — | — | CN | disclosed |
| CN-101454327-A | Azolopyrimidines as inhibitors of cannabinoid 1 activity | IRM LLC (BM) | 2009-06-10 | — | — | CN | disclosed |
| CN-101374818-A | Pyrimidine derivatives | ASTRAZENECA AB (SE) | 2009-02-25 | — | — | CN | disclosed |
| CN-101166725-A | Pyridylacetic acid compound | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2008-04-23 | — | — | CN | disclosed |
| CN-1976938-A | Thienopyrazole derivatives having PDE7 inhibitory activity | ASUBIO PHARMA CO LTD (JP) | 2007-06-06 | — | — | CN | disclosed |
| CN-1237961-A | Aminoguanidines and alkoxyguanidines as protease inhibitors | DIMENSIONAL PHARM INC (US) | 1999-12-08 | — | — | CN | disclosed |