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 | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 3/20 | 0.52 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 11/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 5/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 5/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CLK1 | P49759 | 1/20 | 0.39 |
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 SCHEMBL4131997 | 1.00 | ALOX5 (0.52) | ALOX5DCTPP1SMN1; SMN2HTTMAPT | |
| Acetic Acid SCHEMBL4125535 | 0.83 | MAPT (0.41) | ALOX5DCTPP1HTTMAPTALDH1A1 | |
| Acetic Acid SCHEMBL4125537 | 0.83 | MAPT (0.41) | ALOX5DCTPP1HTTMAPTALDH1A1 | |
| Acetic Acid SCHEMBL4668290 | 0.81 | MEN1 (0.39) | ALOX5DCTPP1HTTMAPTALDH1A1 | |
| Acetic Acid SCHEMBL4668295 | 0.81 | MEN1 (0.39) | ALOX5DCTPP1HTTMAPTALDH1A1 | |
| Acetic Acid SCHEMBL4137417 | 0.81 | RXFP1 (0.42) | ALOX5SMN1; SMN2HTTMAPTALDH1A1 | |
| Acetic Acid SCHEMBL4137421 | 0.81 | RXFP1 (0.42) | ALOX5SMN1; SMN2HTTMAPTALDH1A1 | |
| Acetic Acid SCHEMBL4123820 | 0.81 | ALOX5 (0.44) | ALOX5HTTMAPTALDH1A1MEN1 | |
| Acetic Acid SCHEMBL4123822 | 0.81 | ALOX5 (0.44) | ALOX5HTTMAPTALDH1A1MEN1 | |
| SCHEMBL4668021 | 0.80 | AKR1B1 (0.42) | ALOX5DCTPP1SMN1; SMN2HTTMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1934192-A1 | THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS | Torrent Pharmaceuticals Ltd (IN) | 2008-06-25 | — | — | EP | claimed |
| WO-2007032028-A1 | THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS | TORRENT PHARMACEUTICALS LTD. (IN) | 2007-03-22 | — | — | WO | claimed |