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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ME3 | Q16798 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 5/20 | 0.51 |
| ▸ | RAB9A | P51151 | 5/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.46 |
| ▸ | ABL1 | P00519 | 1/20 | 0.46 |
| ▸ | RXRA | P19793 | 1/20 | 0.46 |
| ▸ | RXRB | P28702 | 1/20 | 0.46 |
| ▸ | RXRG | P48443 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.46 |
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 SCHEMBL7375335 | 0.87 | ME3 (0.52) | ME3ALDH1A1EPHX2ABL1RXRA | |
| Acetic Acid SCHEMBL7412643 | 0.86 | ME3 (0.48) | ME3MEN1KMT2ANPC1RAB9A | |
| Acetic Acid SCHEMBL7376666 | 0.83 | RAB9A (0.53) | ME3MEN1KMT2ANPC1RAB9A | |
| Acetic Acid SCHEMBL8143914 | 0.82 | PTPN2 (0.65) | ME3MEN1KMT2ANPC1RAB9A | |
| Acetic Acid SCHEMBL8143556 | 0.81 | ME3 (0.55) | ME3MEN1KMT2ANPC1RAB9A | |
| Acetic Acid SCHEMBL7376283 | 0.81 | ME3 (0.50) | ME3MEN1KMT2ANPC1RAB9A | |
| SCHEMBL7376671 | 0.80 | ALDH1A1 (0.51) | ME3MEN1KMT2ANPC1RAB9A | |
| SCHEMBL8144002 | 0.80 | ME3 (0.54) | ME3MEN1KMT2ANPC1RAB9A | |
| SCHEMBL8140931 | 0.79 | PTPN2 (0.52) | ME3MEN1KMT2ANPC1RAB9A | |
| SCHEMBL12864683 | 0.77 | NPY5R (0.50) | ME3MEN1KMT2ANPC1RAB9A |
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 |