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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | GFER | P55789 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL8143172 | 0.88 | ACE2 (0.48) | ALDH1A1GFERPKMNPSR1EPHX2 | |
| SCHEMBL8148485 | 0.87 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2GFERPKMNPSR1 | |
| Acetic Acid SCHEMBL8135057 | 0.84 | ME3 (0.52) | ALDH1A1SMN1; SMN2NPSR1TSHR | |
| SCHEMBL8567051 | 0.77 | HTR2A (0.56) | ALDH1A1SMN1; SMN2GFERTSHRLMNA | |
| Acetic Acid SCHEMBL7376483 | 0.77 | MLNR (0.46) | ALDH1A1TSHRLMNA | |
| SCHEMBL21815373 | 0.76 | ALDH1A1 (0.53) | ALDH1A1TSHRLMNA | |
| SCHEMBL13061271 | 0.75 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2NPSR1TSHR | |
| SCHEMBL4035778 | 0.73 | NPSR1 (0.70) | ALDH1A1NPSR1CHRM4EPHX2TSHR | |
| SCHEMBL13746002 | 0.72 | ALDH1A1 (0.72) | ALDH1A1SMN1; SMN2EPHX2TSHRCYP3A4 | |
| Acetic Acid SCHEMBL7374818 | 0.72 | ALDH1A1 (0.55) | ALDH1A1GFEREPHX2CYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6069143-A | Fibrinogen receptor antagonists | SMITHKLINE BEECHAM CORPORATION (US) | 2000-05-30 | — | — | US | disclosed |
| EP-0885213-A4 | FIBRINOGEN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 1999-04-28 | — | — | EP | disclosed |
| EP-0885213-A1 | FIBRINOGEN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1998-12-23 | — | — | EP | disclosed |
| WO-1997025323-A1 | FIBRINOGEN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1997-07-17 | — | — | WO | disclosed |