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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 8/20 | 0.57 |
| ▸ | CACNA1B | Q00975 | 9/20 | 0.40 |
| ▸ | RBP4 | P02753 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL8694195 | 0.90 | F2 (0.54) | F2 | |
| Acetic Acid SCHEMBL8696238 | 0.89 | F2 (0.53) | F2 | |
| Acetic Acid SCHEMBL8698146 | 0.88 | F2 (0.56) | F2 | |
| SCHEMBL8699155 | 0.85 | STS (0.45) | F2CACNA1BRBP4L3MBTL1CYP3A4 | |
| Acetic Acid SCHEMBL8696214 | 0.85 | F2 (0.57) | F2RBP4 | |
| Hydrochloric Acid SCHEMBL8696258 | 0.84 | F2 (0.48) | F2 | |
| Hydrochloric Acid SCHEMBL8697784 | 0.84 | F2 (0.57) | F2 | |
| Hydrochloric Acid SCHEMBL8696523 | 0.84 | F2 (0.51) | F2 | |
| Acetic Acid SCHEMBL8696266 | 0.81 | F2 (0.55) | F2 | |
| Hydrochloric Acid SCHEMBL8695639 | 0.81 | F2 (0.60) | F2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5792769-A | POTENT ANTICOAGULANT, ANTIINFLAMMATORY AGENT; TREATMENT/PROPHYLAXIS OF RESPIRATORY SYSTEM DISORDERS, VASCULAR SYSTEM DISORDERS, ANTITUMOR AGENTS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 1998-08-11 | — | — | US | claimed |
| US-5792769-A | POTENT ANTICOAGULANT, ANTIINFLAMMATORY AGENT; TREATMENT/PROPHYLAXIS OF RESPIRATORY SYSTEM DISORDERS, VASCULAR SYSTEM DISORDERS, ANTITUMOR AGENTS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 1998-08-11 | — | — | US | disclosed |