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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | TAS2R14 | Q9NYV8 | 2/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.44 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.44 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.44 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.44 |
| ▸ | WNT3A | P56704 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | CDC7 | O00311 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL118007 | 0.92 | LMNA (0.60) | LMNAGAAPARP1PTGS1KCNK3 | |
| SCHEMBL27535691 | 0.92 | LMNA (0.60) | LMNAGAAPARP1PTGS1KCNK3 | |
| Hydrochloric Acid SCHEMBL1267047 | 0.90 | LMNA (0.58) | LMNAGAAPARP1PTGS1KCNK3 | |
| Hydrochloric Acid SCHEMBL4002566 | 0.90 | LMNA (0.58) | LMNAGAAPARP1PTGS1KCNK3 | |
| Hydrochloric Acid SCHEMBL5168765 | 0.90 | LMNA (0.58) | LMNAGAAPARP1PTGS1KCNK3 | |
| Trifluoroacetic Acid SCHEMBL4000258 | 0.89 | LMNA (0.53) | LMNAGAAPARP1TAS2R14PTGS1 | |
| Trifluoroacetic Acid SCHEMBL5002922 | 0.89 | LMNA (0.53) | LMNAGAAPARP1TAS2R14PTGS1 | |
| Acetic Acid Methyl Ester SCHEMBL30293217 | 0.88 | LMNA (0.53) | LMNAGAAPARP1TAS2R14PTGS1 | |
| Benzamide SCHEMBL17316225 | 0.87 | PARP1 (0.57) | LMNAGAAPARP1PTGS1KCNK3 | |
| Succinic Acid SCHEMBL27750746 | 0.86 | LMNA (0.50) | LMNAGAAPARP1PTGS1KCNK3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1805957-A | Azetidine compounds | ASTRAZENECA AB (SE) | 2006-07-19 | — | — | CN | disclosed |
| EP-1379528-A4 | PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS | ABBOTT GMBH (DE) | 2005-12-07 | — | — | EP | disclosed |
| EP-1379528-A1 | PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS | ABBOTT GmbH (DE) | 2004-01-14 | — | — | EP | disclosed |
| WO-2002076986-A1 | PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS | ABBOTT GMBH & CO. KG (DE) | 2002-10-03 | — | — | WO | disclosed |