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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 known ✓ | P36544 | 3/20 | 0.44 |
| ▸ | HTR3E known ✓ | A5X5Y0 | 1/20 | 0.43 |
| ▸ | HTR3B known ✓ | O95264 | 1/20 | 0.43 |
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.43 |
| ▸ | HTR3D known ✓ | Q70Z44 | 1/20 | 0.43 |
| ▸ | HTR3C known ✓ | Q8WXA8 | 1/20 | 0.43 |
| ▸ | CHRM3 known ✓ | P20309 | 3/20 | 0.41 |
| ▸ | CHRM2 known ✓ | P08172 | 2/20 | 0.41 |
| ▸ | CHRM1 known ✓ | P11229 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5373494 | 0.99 | CHRNA7 (0.45) | CHRNA7HTR3EHTR3BALOX15TSHR | |
| Hydrochloric Acid SCHEMBL5373482 | 0.85 | CHRNA7 (0.51) | CHRNA7HTR3EHTR3BALOX15TSHR | |
| SCHEMBL5373279 | 0.83 | CHRNA7 (0.45) | CHRNA7HTR3EHTR3BALOX15TSHR | |
| SCHEMBL5368334 | 0.83 | CHRNA7 (0.52) | CHRNA7HTR3EHTR3BALOX15TSHR | |
| SCHEMBL5368586 | 0.83 | CHRNA7 (0.53) | CHRNA7HTR3EHTR3BALOX15TSHR | |
| SCHEMBL5372840 | 0.80 | CHRNA7 (0.42) | CHRNA7HTR3EHTR3BALOX15TSHR | |
| SCHEMBL5368561 | 0.80 | CHRNA7 (0.43) | CHRNA7HTR3EHTR3BALOX15TSHR | |
| SCHEMBL5954967 | 0.80 | OPRK1 (0.30) | — | |
| SCHEMBL5378647 | 0.80 | CHRNA7 (0.39) | CHRNA7 | |
| SCHEMBL5371799 | 0.79 | CHRNA7 (0.53) | CHRNA7HTR3EHTR3BHTR3AHTR3D |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7176198-B2 | 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease | PFIZER INC. (US) | 2007-02-13 | — | — | US | disclosed |
| US-20060116395-A1 | 1H-pyrazole and 1h-pyrole-azabicyclic compounds for the treatment of disease | PFIZER INC | 2006-06-01 | — | — | US | disclosed |
| CN-1764456-A | Treatment of related diseases using full alpha-7 nACh receptor agonists | PHARMACIA & UPJOHN CO LLC (US) | 2006-04-26 | — | — | CN | disclosed |
| US-20060019984-A1 | Treatment of diseases with alpha-7nACh receptor full agonists | PFIZER INC | 2006-01-26 | — | — | US | disclosed |
| US-20050245504-A1 | Treatment of diseases with combinations of alpha 7 Nicotinic Acetylcholine Receptor agonists and other compounds | CORBETT JEFFREY W | 2005-11-03 | — | — | US | disclosed |
| EP-1587511-A2 | TREATMENT OF DISEASES WITH ALPHA-7 NACH RECEPTOR FULL AGONISTS | Pharmacia & Upjohn Company LLC (US) | 2005-10-26 | — | — | EP | disclosed |
| EP-1572300-A1 | COMBINATION FOR THE TREATMENT OF ADHD | Pharmacia & Upjohn Company LLC (US) | 2005-09-14 | — | — | EP | disclosed |
| EP-1542999-A1 | 1H-PYRAZOLE AND 1H-PYRROLE-AZABICYCLIC COMPOUNDS WITH ALFA-7 NACHR ACTIVITY | Pharmacia & Upjohn Company LLC (US) | 2005-06-22 | — | — | EP | disclosed |
| US-20050107425-A1 | Treatment of attention defecit hyperactivity disorder | PFIZER INC | 2005-05-19 | — | — | US | disclosed |
| WO-2004064836-A2 | TREATMENT OF DISEASES WITH ALPHA-7 NACH RECEPTOR FULL AGONISTS | PHARMACIA & UPJOHN COMPANY LLC (US) | 2004-08-05 | — | — | WO | disclosed |
| WO-2004052461-A1 | COMBINATION FOR THE TREATMENT OF ADHD | PHARMACIA & UPJOHN COMPANY LLC (US) | 2004-06-24 | — | — | WO | disclosed |
| US-20040087616-A1 | 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease | PIOTROWSKI DAVID W (US) | 2004-05-06 | — | — | US | disclosed |
| WO-2004013137-A1 | 1H-PYRAZOLE AND 1H-PYRROLE-AZABICYCLIC COMPOUNDS WITH ALFA-7 NACHR ACTIVITY | PHARMACIA & UPJOHN COMPANY LLC (US) | 2004-02-12 | — | — | 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 (5 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-20050245504-A1 | Treatment of diseases with combinations of alpha 7 Nicotinic Acetylcholine Receptor agonists and other compounds | CHRNA7, CHRNG, CHRNE | CHRNA7 1/4885HTR3E 673/4885HTR3B 326/4885 |
| US-20060019984-A1 | Treatment of diseases with alpha-7nACh receptor full agonists | CHRNA7, CHRNA1, CHRNG | CHRNA7 1/4885HTR3E 837/4885HTR3B 334/4885 |
| US-20060116395-A1 | 1H-pyrazole and 1h-pyrole-azabicyclic compounds for the treatment of disease | CYP7B1, P2RX7, CYP3A7 | CHRNA7 8/4885HTR3E 1732/4885HTR3B 537/4885 |
| US-20040087616-A1 | 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease | CYP1B1, TPMT, CYP7B1 | CHRNA7 2586/4885HTR3E 3531/4885HTR3B 2381/4885 |
| US-20050107425-A1 | Treatment of attention defecit hyperactivity disorder | CHRNA7, CHRNA10, SLC18A3 | CHRNA7 1/4885HTR3E 45/4885HTR3B 33/4885 |
“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.