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 | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | PTP4A3 | O75365 | 3/20 | 0.43 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 5/20 | 0.42 |
| ▸ | MEN1 | O00255 | 5/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.42 |
| ▸ | POLB | P06746 | 4/20 | 0.42 |
| ▸ | PPARG | P37231 | 3/20 | 0.39 |
| ▸ | NSD2 | O96028 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | STAT3 | P40763 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CRHBP | P24387 | 1/20 | 0.37 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.37 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.36 |
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 SCHEMBL4635119 | 1.00 | TDP1 (0.44) | TDP1PTP4A3CISD1PTPN1MEN1 | |
| Acetic Acid SCHEMBL4125635 | 0.94 | PTP4A3 (0.48) | TDP1PTP4A3CISD1PTPN1MEN1 | |
| Acetic Acid SCHEMBL4125639 | 0.94 | PTP4A3 (0.48) | TDP1PTP4A3CISD1PTPN1MEN1 | |
| Acetic Acid SCHEMBL4129246 | 0.93 | PTP4A3 (0.44) | TDP1PTP4A3CISD1PTPN1MEN1 | |
| Acetic Acid SCHEMBL4129247 | 0.93 | PTP4A3 (0.44) | TDP1PTP4A3CISD1PTPN1MEN1 | |
| Acetic Acid SCHEMBL4132602 | 0.92 | PTP4A3 (0.43) | TDP1PTP4A3CISD1MEN1KMT2A | |
| Acetic Acid SCHEMBL4132607 | 0.92 | PTP4A3 (0.43) | TDP1PTP4A3CISD1MEN1KMT2A | |
| SCHEMBL4635271 | 0.90 | PTP4A3 (0.52) | TDP1PTP4A3CISD1PTPN1MEN1 | |
| SCHEMBL4131686 | 0.89 | MEN1 (0.45) | TDP1PTP4A3CISD1PTPN1MEN1 | |
| SCHEMBL4131690 | 0.89 | MEN1 (0.45) | TDP1PTP4A3CISD1PTPN1MEN1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101268060-A | Thiazolinone and oxazolinone compounds and application thereof as PTP1B inhibitor | TORRENT PHARMACEUTICALS LTD (IN) | 2008-09-17 | — | — | CN | claimed |
| 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 |
| CN-101268060-A | Thiazolinone and oxazolinone compounds and application thereof as PTP1B inhibitor | TORRENT PHARMACEUTICALS LTD (IN) | 2008-09-17 | — | — | CN | disclosed |
| EP-1934192-A1 | THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS | Torrent Pharmaceuticals Ltd (IN) | 2008-06-25 | — | — | EP | disclosed |
| WO-2007032028-A1 | THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS | TORRENT PHARMACEUTICALS LTD. (IN) | 2007-03-22 | — | — | WO | disclosed |