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 | |
|---|---|---|---|---|
| ▸ | HTR1D known ✓ | P28221 | 3/20 | 0.39 |
| ▸ | HTR1B known ✓ | P28222 | 3/20 | 0.39 |
| ▸ | PRKCQ known ✓ | Q04759 | 4/20 | 0.38 |
| ▸ | PRKCD known ✓ | Q05655 | 4/20 | 0.38 |
| ▸ | LCK known ✓ | P06239 | 2/20 | 0.38 |
| ▸ | PRKCB known ✓ | P05771 | 1/20 | 0.38 |
| ▸ | PRKCH known ✓ | P24723 | 1/20 | 0.38 |
| ▸ | PRKCE known ✓ | Q02156 | 1/20 | 0.38 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.35 |
| ▸ | PIK3CD known ✓ | O00329 | 1/20 | 0.35 |
| ▸ | PIK3CA known ✓ | P42336 | 1/20 | 0.35 |
| ▸ | HTR6 known ✓ | P50406 | 1/20 | 0.34 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.33 |
| ▸ | ROCK2 known ✓ | O75116 | 1/20 | 0.33 |
| ▸ | ABL1 known ✓ | P00519 | 1/20 | 0.33 |
| ▸ | NTRK1 known ✓ | P04629 | 1/20 | 0.33 |
| ▸ | MET known ✓ | P08581 | 1/20 | 0.33 |
| ▸ | SRC known ✓ | P12931 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3541504 | 0.99 | MPO (0.41) | MPOHTR1DHTR1BPRKCQPRKCD | |
| Hydrochloric Acid SCHEMBL3548096 | 0.88 | PIK3CD (0.38) | HTR1DHTR1BPRKCQPRKCDDRD3 | |
| SCHEMBL3553010 | 0.87 | PIK3CD (0.39) | HTR1DHTR1BPRKCQPRKCDDRD3 | |
| Hydrochloric Acid SCHEMBL3548077 | 0.78 | SMN1; SMN2 (0.42) | CYP3A4MAPK1 | |
| Hydrochloric Acid SCHEMBL3548836 | 0.77 | HTR1A (0.37) | MPOHTR1DHTR1BHTR6HTR2A | |
| Hydrochloric Acid SCHEMBL3553023 | 0.76 | HRH3 (0.37) | HTR2CCYP3A4MAPK1 | |
| Hydrochloric Acid SCHEMBL3542250 | 0.76 | HTR1F (0.46) | HTR1DHTR1BHTR6HTR2AHTR2C | |
| SCHEMBL3547227 | 0.75 | HTR1A (0.37) | MPOHTR1DHTR1BHTR6HTR2A | |
| SCHEMBL3547546 | 0.74 | HRH3 (0.38) | HTR2CCYP3A4 | |
| SCHEMBL3548945 | 0.74 | HTR1F (0.47) | HTR1DHTR1BHTR6HTR2AHTR2C |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7741343-B2 | 6H-oxazolo[4,5 e]indole derivatives as nicotinic acetylcholine receptor ligands and/or serotonergic ligands | MERCK PATENT GMBH (DE) | 2010-06-22 | — | — | US | disclosed |
| US-20080051394-A1 | 6H-Oxazolo[4,5 e]indole derivatives as nicotinic acetylcholine receptor ligands and/or serotonergic ligands | SCHIEMANN KAI | 2008-02-28 | — | — | US | disclosed |
| US-7291633-B2 | 6H-oxazolo[4,5-e]indole derivatives as nicotinic acetylcholine receptor ligands and/or serotonergic ligands | MERCK PATENT GMBH (DE) | 2007-11-06 | — | — | US | disclosed |
| US-20050101649-A1 | 6H-oxazolo[4,5-e]indole derivatives as nicotinic acetylcholine receptor ligands and/or serotonergic ligands | MERCK PATENT GMBH (DE) | 2005-05-12 | — | — | US | disclosed |
| EP-1392699-B1 | 6H-OXAZOLO 4,5-E]INDOLE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND/OR SEROTONERGIC LIGANDS | MERCK PATENT GMBH (DE) | 2005-03-16 | — | — | EP | disclosed |
| EP-1392699-A1 | 6H-OXAZOLO 4,5-E]INDOLE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND/OR SEROTONERGIC LIGANDS | MERCK PATENT GmbH (DE) | 2004-03-03 | — | — | EP | disclosed |
| WO-2002088139-A1 | 6H-OXAZOLO[4,5-E]INDOLE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND/OR SEROTONERGIC LIGANDS | MERCK PATENT GMBH (DE) | 2002-11-07 | — | — | 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-20080051394-A1 | 6H-Oxazolo[4,5 e]indole derivatives as nicotinic acetylcholine receptor ligands and/or serotonergic ligands | CHRM1, CHRNA5, CHRNA4 | HTR1D 50/4885HTR1B 25/4885PRKCQ 3906/4885 |
| US-20050101649-A1 | 6H-oxazolo[4,5-e]indole derivatives as nicotinic acetylcholine receptor ligands and/or serotonergic ligands | CHRM1, CHRNA5, CHRNA4 | HTR1D 58/4885HTR1B 33/4885PRKCQ 3671/4885 |
“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.