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 | |
|---|---|---|---|---|
| ▸ | HTR5A known ✓ | P47898 | 2/20 | 0.44 |
| ▸ | HTR3A known ✓ | P46098 | 5/20 | 0.43 |
| ▸ | HTR6 known ✓ | P50406 | 4/20 | 0.43 |
| ▸ | HTR1A known ✓ | P08908 | 4/20 | 0.43 |
| ▸ | HTR3E known ✓ | A5X5Y0 | 2/20 | 0.43 |
| ▸ | HTR3B known ✓ | O95264 | 2/20 | 0.43 |
| ▸ | HTR3D known ✓ | Q70Z44 | 2/20 | 0.43 |
| ▸ | HTR3C known ✓ | Q8WXA8 | 2/20 | 0.43 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 2/20 | 0.43 |
| ▸ | HTR7 known ✓ | P34969 | 2/20 | 0.43 |
| ▸ | HTR1D known ✓ | P28221 | 1/20 | 0.43 |
| ▸ | HTR1B known ✓ | P28222 | 1/20 | 0.43 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.43 |
| ▸ | ADRB1 known ✓ | P08588 | 3/20 | 0.43 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.43 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9214113 | 0.99 | HTR5A (0.45) | LMNAKDM4EALDH1A1HPGDPMP22 | |
| SCHEMBL9214105 | 0.86 | HTR5A (0.45) | LMNAKDM4EALDH1A1HPGDPMP22 | |
| Hydrochloric Acid SCHEMBL6017133 | 0.83 | KDM4E (0.49) | LMNAKDM4EALDH1A1HPGDPMP22 | |
| Hydrochloric Acid SCHEMBL6017149 | 0.80 | DRD4 (0.47) | MAPTHTR1ASIGMAR1HTR7NCF1 | |
| Hydrochloric Acid SCHEMBL6443241 | 0.78 | ADRA1D (0.53) | ALDH1A1HTR1AHTR2ADRD2 | |
| Hydrochloric Acid SCHEMBL6442687 | 0.76 | CYP2C9 (0.52) | HTR1AHTR2ADRD2 | |
| Hydrochloric Acid SCHEMBL30839781 | 0.76 | KDM4E (0.53) | LMNAKDM4EALDH1A1HPGDPMP22 | |
| Hydrochloric Acid SCHEMBL27237945 | 0.76 | KDM4E (0.53) | LMNAKDM4EALDH1A1HPGDPMP22 | |
| SCHEMBL17081004 | 0.74 | ADRB1 (0.51) | LMNAKDM4EALDH1A1HPGDPMP22 | |
| SCHEMBL17080819 | 0.74 | HTR1A (0.51) | LMNAKDM4EALDH1A1HPGDPMP22 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1660079-A2 | COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A SEROTONIN MODULATING AGENT FOR THE TREATMENT OF NEOPLASIA | Pharmacia Corporation (US) | 2006-05-31 | — | — | EP | disclosed |
| US-20050085477-A1 | Compositions of a cyclooxygenase-2 selective inhibitor and a serotonin-modulating agent for the treatment of neoplasia | PHARMACIA CORPORATION | 2005-04-21 | — | — | US | disclosed |
| US-20050080084-A1 | Compositions of a cyclooxygenase-2 selective inhibitor and a serotonin-modulating agent for the treatment of central nervous system damage | PHARMACIA CORPORATION | 2005-04-14 | — | — | US | disclosed |
| WO-2005018541-A2 | COX-2 INHIBITOR AND SEROTONIN MODULATOR FOR TREATING CNS DAMAGE | PHARMACIA CORPORATION (US) | 2005-03-03 | — | — | WO | disclosed |
| WO-2005018569-A2 | COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A SEROTONIN MODULATING AGENT FOR THE TREATMENT OF NEOPLASIA | PHARMACIA CORPORATION (US) | 2005-03-03 | — | — | WO | disclosed |
| EP-0660832-B1 | SEROTONIN RECEPTOR AGENTS | MERRELL PHARMA INC (US) | 1998-01-14 | — | — | EP | disclosed |
| US-5436246-A | Compounds for treatment of anxiety, depression, migraine, stroke, angina and hypertension | MERRELL DOW PHARMACEUTICALS INC. | 1995-07-25 | — | — | US | disclosed |
| EP-0660832-A1 | SEROTONIN RECEPTOR AGENTS | MERRELL PHARMACEUTICALS INC. (US) | 1995-07-05 | — | — | EP | disclosed |
| WO-1994006789-A1 | SEROTONIN RECEPTOR AGENTS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1994-03-31 | — | — | WO | 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 (2 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-20050085477-A1 | Compositions of a cyclooxygenase-2 selective inhibitor and a serotonin-modulating agent for the treatment of neoplasia | TPH2, TPH1, HTR2A | HTR5A 7/4885HTR3A 12/4885HTR6 10/4885 |
| US-20050080084-A1 | Compositions of a cyclooxygenase-2 selective inhibitor and a serotonin-modulating agent for the treatment of central nervous system damage | TPH2, TPH1, HTR2A | HTR5A 5/4885HTR3A 7/4885HTR6 11/4885 |
“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.