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 | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.39 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.39 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.39 |
| ▸ | CDK8 | P49336 | 1/20 | 0.39 |
| ▸ | CLK2 | P49760 | 1/20 | 0.39 |
| ▸ | CDK9 | P50750 | 1/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.39 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 7/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.38 |
| ▸ | PTP4A3 | O75365 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
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 SCHEMBL4635217 | 1.00 | CHEK1 (0.39) | CHEK1DAPK3PRKD3PIM1MAPK8 | |
| Acetic Acid SCHEMBL4131375 | 0.92 | CHEK1 (0.43) | CHEK1DAPK3PRKD3PIM1MAPK8 | |
| Acetic Acid SCHEMBL4131372 | 0.92 | CHEK1 (0.43) | CHEK1DAPK3PRKD3PIM1MAPK8 | |
| Acetic Acid SCHEMBL4140466 | 0.92 | TDP1 (0.41) | MEN1KMT2ATDP1PTP4A3MAPT | |
| Acetic Acid SCHEMBL4140463 | 0.92 | TDP1 (0.41) | MEN1KMT2ATDP1PTP4A3MAPT | |
| Acetic Acid SCHEMBL4133642 | 0.91 | TDP1 (0.36) | CHEK1DAPK3PRKD3PIM1MAPK8 | |
| Acetic Acid SCHEMBL4133643 | 0.91 | TDP1 (0.36) | CHEK1DAPK3PRKD3PIM1MAPK8 | |
| Acetic Acid SCHEMBL4125639 | 0.91 | PTP4A3 (0.48) | MEN1KMT2ATDP1PTP4A3MAPT | |
| Acetic Acid SCHEMBL4125635 | 0.91 | PTP4A3 (0.48) | MEN1KMT2ATDP1PTP4A3MAPT | |
| Acetic Acid SCHEMBL4133426 | 0.90 | PTP4A3 (0.40) | MEN1KMT2ATDP1ALOX5PTP4A3 |
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 | disclosed |
| WO-2007032028-A1 | THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS | TORRENT PHARMACEUTICALS LTD. (IN) | 2007-03-22 | — | — | WO | disclosed |