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 | |
|---|---|---|---|---|
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.49 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.60 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.60 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.60 |
| ▸ | NAMPT | P43490 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | ABL1 | P00519 | 1/20 | 0.53 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.53 |
| ▸ | GPR119 | Q8TDV5 | 7/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.48 |
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 SCHEMBL8143914 | 0.88 | PTPN2 (0.65) | PTPN2PTPN1PTPN6NAMPTMAPT | |
| Acetic Acid SCHEMBL7374818 | 0.84 | ALDH1A1 (0.55) | NAMPTMAPTMEN1KMT2AABL1 | |
| SCHEMBL7376708 | 0.84 | MAPT (0.60) | MAPTTSHRKMT2ASMN1; SMN2RAB9A | |
| SCHEMBL7379718 | 0.84 | PTPN2 (0.64) | PTPN2PTPN1PTPN6NAMPTMAPT | |
| Acetic Acid SCHEMBL7376666 | 0.83 | RAB9A (0.53) | MAPTMEN1KMT2ASMN1; SMN2NPC1 | |
| SCHEMBL7374084 | 0.83 | PTPN2 (0.64) | PTPN2PTPN1PTPN6NAMPTMAPT | |
| SCHEMBL8144011 | 0.82 | PTPN2 (0.62) | PTPN2PTPN1PTPN6NAMPTMAPT | |
| SCHEMBL7380393 | 0.82 | PTPN2 (0.68) | PTPN2PTPN1PTPN6NAMPTMAPT | |
| SCHEMBL15379413 | 0.82 | PTPN2 (0.67) | PTPN2PTPN1PTPN6NAMPTMAPT | |
| SCHEMBL7372038 | 0.81 | PTPN2 (0.67) | PTPN2PTPN1PTPN6NAMPTMAPT |
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 |