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 | |
|---|---|---|---|---|
| ▸ | HTR2B known ✓ | P41595 | 12/20 | 0.57 |
| ▸ | HTR3E known ✓ | A5X5Y0 | 1/20 | 0.57 |
| ▸ | HTR3B known ✓ | O95264 | 1/20 | 0.57 |
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.57 |
| ▸ | HTR3D known ✓ | Q70Z44 | 1/20 | 0.57 |
| ▸ | HTR3C known ✓ | Q8WXA8 | 1/20 | 0.57 |
| ▸ | HTR2C known ✓ | P28335 | 11/20 | 0.48 |
| ▸ | HTR2A known ✓ | P28223 | 10/20 | 0.48 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.45 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.45 |
| ▸ | DDB1 known ✓ | Q16531 | 1/20 | 0.45 |
| ▸ | CRBN known ✓ | Q96SW2 | 1/20 | 0.45 |
| ▸ | PARP1 known ✓ | P09874 | 1/20 | 0.40 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | IKZF3 | Q9UKT9 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
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 SCHEMBL5381370 | 1.00 | HTR2B (0.57) | HTR2BHTR3EHTR3BHTR3ATMEM97 | |
| SCHEMBL24424025 | 0.98 | HTR2B (0.58) | HTR2BHTR3EHTR3BHTR3ATMEM97 | |
| SCHEMBL31238892 | 0.98 | HTR2B (0.58) | HTR2BHTR3EHTR3BHTR3ATMEM97 | |
| SCHEMBL29585627 | 0.98 | HTR2B (0.58) | HTR2BHTR3EHTR3BHTR3ATMEM97 | |
| Hydrochloric Acid SCHEMBL17106623 | 0.90 | HTR2B (0.70) | HTR2BHTR3EHTR3BHTR3ATMEM97 | |
| Hydrochloric Acid SCHEMBL17106621 | 0.90 | HTR2B (0.70) | HTR2BHTR3EHTR3BHTR3ATMEM97 | |
| Hydrochloric Acid SCHEMBL20986774 | 0.90 | HTR2B (0.70) | HTR2BHTR3EHTR3BHTR3ATMEM97 | |
| Hydrochloric Acid SCHEMBL3195312 | 0.89 | CYP1A2 (0.47) | HTR2BHTR3EHTR3BHTR3ATMEM97 | |
| SCHEMBL497234 | 0.88 | HTR2B (0.72) | HTR2BHTR3EHTR3BHTR3ATMEM97 | |
| SCHEMBL31756903 | 0.88 | HTR2B (0.72) | HTR2BHTR3EHTR3BHTR3ATMEM97 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1671728-A | Novel adenosine analogues and their use as pharmaceutical agents | AVENTIS PHARMA GMBH (DE) | 2005-09-21 | — | — | CN | disclosed |
| US-5672567-A | PRE- AND POST-EMERGENCE | ZENECA LIMITED (GB) | 1997-09-30 | — | — | US | disclosed |
| US-5670453-A | PYRAZINEARYL COMPOUND | ZENECA LIMITED (GB) | 1997-09-23 | — | — | US | disclosed |
| US-5607953-A | ANTIISCHEMIC AGENTS | EISAI CO., LTD. (JP) | 1997-03-04 | — | — | US | disclosed |
| EP-0344577-B1 | Butenoic or propenoic acid derivatives | EISAI CO LTD (JP) | 1996-10-09 | — | — | EP | disclosed |
| WO-1995029898-A1 | HERBICIDAL HYDROXYBENZYL-SUBSTITUTED HETEROARYL COMPOUNDS AND DERIVATIVES THEREOF | ZENECA LIMITED (GB) | 1995-11-09 | — | — | WO | disclosed |
| US-5382595-A | Antiischemic agents | EISAI CO., LTD. (JP) | 1995-01-17 | — | — | US | disclosed |
| US-5177089-A | Antiischemic agent, vasodilator | EISAI CO., LTD. (JP) | 1993-01-05 | — | — | US | disclosed |
| US-5047417-A | Butenoic or propenoic acid derivatives | EISAI CO. LTD. (JP) | 1991-09-10 | — | — | US | disclosed |
| EP-0344577-A2 | Butenoic or propenoic acid derivatives | Eisai Co., Ltd. (JP) | 1989-12-06 | — | — | EP | disclosed |