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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | RECQL | P46063 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 15/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | GSK3A | P49840 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.35 |
| ▸ | NSD2 | O96028 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | APEX1 | P27695 | 1/20 | 0.35 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.35 |
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 SCHEMBL4668290 | 1.00 | MEN1 (0.39) | MEN1MAPTKMT2AALDH1A1KDM4E | |
| Acetic Acid SCHEMBL4125537 | 0.97 | MAPT (0.41) | MEN1MAPTKMT2AALDH1A1KDM4E | |
| Acetic Acid SCHEMBL4125535 | 0.97 | MAPT (0.41) | MEN1MAPTKMT2AALDH1A1KDM4E | |
| Acetic Acid SCHEMBL4123822 | 0.89 | ALOX5 (0.44) | MEN1MAPTKMT2AALDH1A1ALOX5 | |
| Acetic Acid SCHEMBL4123820 | 0.89 | ALOX5 (0.44) | MEN1MAPTKMT2AALDH1A1ALOX5 | |
| Acetic Acid SCHEMBL4124109 | 0.87 | MEN1 (0.38) | MEN1MAPTKMT2AALDH1A1KDM4E | |
| Acetic Acid SCHEMBL4666034 | 0.87 | MEN1 (0.38) | MEN1MAPTKMT2AALDH1A1KDM4E | |
| Acetic Acid SCHEMBL4138313 | 0.86 | KMT2A (0.40) | MEN1MAPTKMT2AALDH1A1KDM4E | |
| Acetic Acid SCHEMBL4138317 | 0.86 | KMT2A (0.40) | MEN1MAPTKMT2AALDH1A1KDM4E | |
| Acetic Acid SCHEMBL4133460 | 0.86 | ALOX5 (0.53) | MEN1MAPTKMT2AALDH1A1LMNA |
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 |