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 | |
|---|---|---|---|---|
| ▸ | HTR2C known ✓ | P28335 | 5/20 | 0.59 |
| ▸ | HTR3A known ✓ | P46098 | 4/20 | 0.59 |
| ▸ | ADRA1A known ✓ | P35348 | 4/20 | 0.59 |
| ▸ | ADRA2C known ✓ | P18825 | 3/20 | 0.59 |
| ▸ | HTR1D known ✓ | P28221 | 3/20 | 0.59 |
| ▸ | HTR2B known ✓ | P41595 | 3/20 | 0.59 |
| ▸ | ADRA2A known ✓ | P08913 | 3/20 | 0.59 |
| ▸ | HTR2A known ✓ | P28223 | 3/20 | 0.59 |
| ▸ | HRH1 known ✓ | P35367 | 1/20 | 0.59 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.59 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.59 |
| ▸ | HTR4 known ✓ | Q13639 | 10/20 | 0.57 |
| ▸ | HTR3E known ✓ | A5X5Y0 | 2/20 | 0.57 |
| ▸ | HTR3B known ✓ | O95264 | 2/20 | 0.57 |
| ▸ | HTR3D known ✓ | Q70Z44 | 2/20 | 0.57 |
| ▸ | HTR3C known ✓ | Q8WXA8 | 2/20 | 0.57 |
| ▸ | ADRA2B known ✓ | P18089 | 3/20 | 0.45 |
| ▸ | CHRM2 known ✓ | P08172 | 2/20 | 0.45 |
| ▸ | CHRM3 known ✓ | P20309 | 2/20 | 0.45 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7404756 | 0.99 | HTR4 (0.58) | HTR2CHTR3AADRA1AADRA2CHTR1D | |
| SCHEMBL7400000 | 0.92 | HTR4 (0.58) | HTR2CHTR3AADRA1AADRA2CHTR1D | |
| SCHEMBL6263176 | 0.88 | HTR4 (0.58) | HTR2CHTR3AADRA1AADRA2CHTR1D | |
| SCHEMBL6776570 | 0.87 | HTR4 (0.45) | HTR2CHTR3AADRA1AADRA2CHTR1D | |
| Hydrochloric Acid SCHEMBL6776355 | 0.86 | HTR2C (0.53) | HTR2CHTR3AADRA1AADRA2CHTR1D | |
| Hydrochloric Acid SCHEMBL7248497 | 0.86 | HTR3A (0.53) | HTR2CHTR3AADRA1AADRA2CHTR1D | |
| SCHEMBL7143630 | 0.86 | HTR4 (0.48) | HTR2CHTR3AADRA1AADRA2CHTR1D | |
| SCHEMBL7360909 | 0.85 | HTR4 (0.52) | HTR2CHTR3AADRA1AADRA2CHTR1D | |
| SCHEMBL7391971 | 0.85 | HTR4 (0.45) | HTR2CHTR3AADRA1AADRA2CHTR1D | |
| SCHEMBL8317708 | 0.84 | HTR4 (0.44) | HTR2CHTR3AADRA1AADRA2CHTR1D |
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 |
|---|---|---|---|---|---|---|---|
| EP-0880500-B1 | ESTERS OF 3-HYDROXY-PIPERIDINEMETHANOL DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2002-07-31 | — | — | EP | disclosed |
| US-6096761-A | REACTING A N-SUBSTITUTED 4-METHANOL-3-HYDROXY OR ALKOXY-PIPERIDINE INTERMEDIATE WITH A CARBOXYLIC ACID DERIVATIVES; ADMINISTERING TO AN ANIMAL SUFFERING WITH A CONDITION RELATED TO HAMPERED OR IMPAIRED GASTRIC EMPTYING | JANSSEN PHARMACEUTICA N.V. (BE) | 2000-08-01 | — | — | US | disclosed |
| EP-0604494-B1 | 5-HT4 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1999-07-28 | — | — | EP | disclosed |
| EP-0880500-A1 | ESTERS OF 3-HYDROXY-PIPERIDINEMETHANOL DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 1998-12-02 | — | — | EP | disclosed |
| WO-1997030031-A1 | ESTERS OF 3-HYDROXY-PIPERIDINEMETHANOL DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 1997-08-21 | — | — | WO | disclosed |
| US-5580885-A | FOR TREATMENT OF GASTROINTESTINAL, CARDIOVASCULAR OR NERVOUS SYSTEM DISORDERS | SMITHKLINE BEECHAM P.L.C. (GB) | 1996-12-03 | — | — | US | disclosed |
| EP-0604494-A1 | 5-HT 4? RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1994-07-06 | — | — | EP | disclosed |
| WO-1993005038-A1 | 5-HT4 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1993-03-18 | — | — | WO | disclosed |