Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 known ✓ | P30926 | 3/20 | 0.61 |
| ▸ | CHRNA3 known ✓ | P32297 | 3/20 | 0.61 |
| ▸ | CHRNB2 | P17787 | 6/20 | 0.61 |
| ▸ | CHRNA4 | P43681 | 6/20 | 0.61 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.61 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1161371 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL364708 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL27653360 | 0.91 | CHRNB2 (0.65) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL18291857 | 0.84 | CHRNB2 (0.57) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL4669293 | 0.84 | CHRNB2 (0.69) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL25021936 | 0.84 | CHRNB2 (0.69) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL30306973 | 0.84 | CHRNB2 (0.69) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL52844 | 0.84 | CHRNB2 (0.69) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| Trifluoroacetic Acid SCHEMBL29003122 | 0.84 | CHRNB2 (0.53) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| Acetic Acid SCHEMBL1439351 | 0.83 | CHRNB2 (0.53) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0600955-A1 | 5-HT4 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1994-06-15 | — | — | EP | disclosed |
| WO-1993003725-A1 | 5-HT4 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1993-03-04 | — | — | WO | disclosed |