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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A known ✓ | P28223 | 3/20 | 0.40 |
| ▸ | HTR2C known ✓ | P28335 | 2/20 | 0.40 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.40 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.40 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 2/20 | 0.36 |
| ▸ | OPRM1 known ✓ | P35372 | 2/20 | 0.35 |
| ▸ | HRH1 known ✓ | P35367 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.33 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
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 SCHEMBL7498632 | 1.00 | HTR2A (0.40) | HTR2AHTR2CDRD2SLC6A2SLC6A4 | |
| SCHEMBL7627479 | 0.98 | HTR2A (0.41) | HTR2AHTR2CDRD2SLC6A2SLC6A4 | |
| SCHEMBL6153867 | 0.98 | HTR2A (0.41) | HTR2AHTR2CDRD2SLC6A2SLC6A4 | |
| SCHEMBL761583 | 0.98 | HTR2A (0.41) | HTR2AHTR2CDRD2SLC6A2SLC6A4 | |
| Mandelic Acid SCHEMBL7684755 | 0.82 | LMNA (0.43) | HTR2AHTR2CDRD2SLC6A2SLC6A4 | |
| SCHEMBL24137889 | 0.77 | SIGMAR1 (0.40) | HTR2AHTR2CDRD2SIGMAR1OPRM1 | |
| SCHEMBL4867850 | 0.71 | RBP4 (0.38) | — | |
| SCHEMBL6153394 | 0.71 | RBP4 (0.38) | — | |
| Hydrochloric Acid SCHEMBL2803727 | 0.68 | HTR2A (0.53) | HTR2AHTR2CDRD2SLC6A2SLC6A4 | |
| SCHEMBL6153626 | 0.67 | ESR1 (0.36) | KDM1ATSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1048658-B1 | ALICYCLIC ACYLATED HETEROCYCLIC DERIVATIVES | SANKYO CO (JP) | 2005-06-15 | — | — | EP | disclosed |
| EP-0987269-B1 | SALTS OF OPTICALLY ACTIVE SULFOXIDE DERIVATIVE | SANKYO CO (JP) | 2003-08-13 | — | — | EP | disclosed |
| US-6448247-B1 | TACHYKININ RECEPTOR ANTAGONIST; ESPECIALLY TO THE RECEPTORS FOR SUBSTANCE P (WHICH RECEPTORS ARE GENERALLY REFERRED TO AS ?NEUROKININ 1 RECEPTORS?) | SANKYO COMPANY, LIMITED (JP) | 2002-09-10 | — | — | US | disclosed |
| US-6362179-B1 | PSYCHOLOGICAL DISORDERS; NERVOUS SYSTEM DISORDERS | SANKYO COMPANY, LIMITED (JP) | 2002-03-26 | — | — | US | disclosed |
| EP-0776893-B1 | Azaheterocyclic compounds having tachykinin receptor antagonist activity; Nk1 and NK2 | SANKYO CO (JP) | 2002-02-27 | — | — | EP | disclosed |
| US-6288059-B1 | ANTIASTHMATIC, ANTIALLERGEN AGENTS; URINARY INCONTINENCE; NATURAL KILLER CELL RECEPTOR AND TACHYKININ ANTAGONISTS | SANKYO COMPANY, LIMITED (JP) | 2001-09-11 | — | — | US | disclosed |
| US-6159967-A | Heterocyclic compounds having tachykinin receptor antagonist activity their preparation and their use | SANKYO COMPANY, LIMITED (JP) | 2000-12-12 | — | — | US | disclosed |
| EP-1048658-A1 | ALICYCLIC ACYLATED HETEROCYCLIC DERIVATIVES | Sankyo Company Limited (JP) | 2000-11-02 | — | — | EP | disclosed |
| JP-2000103791-A | OPTICALLY ACTIVE SULFOXIDE DERIVATIVE FOR SYNTHESIS OF MEDICINE | SANKYO CO LTD | 2000-04-11 | — | — | JP | disclosed |
| EP-0987269-A1 | SALTS OF OPTICALLY ACTIVE SULFOXIDE DERIVATIVE | Sankyo Company Limited (JP) | 2000-03-22 | — | — | EP | disclosed |
| EP-0776893-A1 | Azaheterocyclic compounds having tachykinin receptor antagonist activity; Nk1 and NK2 | SANKYO COMPANY LIMITED (JP) | 1997-06-04 | — | — | EP | disclosed |