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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | MAPT | P10636 | 6/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.40 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 4/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.35 |
| ▸ | HDAC5 | Q9UQL6 | 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 SCHEMBL4143413 | 1.00 | ALDH1A1 (0.40) | ALDH1A1MAPTKMT2AHTTPOLB | |
| Acetic Acid SCHEMBL4125635 | 0.84 | PTP4A3 (0.48) | ALDH1A1MAPTKMT2AHTTPOLB | |
| Acetic Acid SCHEMBL4125639 | 0.84 | PTP4A3 (0.48) | ALDH1A1MAPTKMT2AHTTPOLB | |
| Acetic Acid SCHEMBL4128382 | 0.84 | KMT2A (0.47) | ALDH1A1MAPTKMT2AHTTPOLB | |
| Acetic Acid SCHEMBL4128384 | 0.84 | KMT2A (0.47) | ALDH1A1MAPTKMT2AHTTPOLB | |
| SCHEMBL4133059 | 0.84 | KMT2A (0.44) | ALDH1A1MAPTKMT2AHTTPOLB | |
| Acetic Acid SCHEMBL4136734 | 0.80 | CISD1 (0.45) | KMT2APOLBCISD1MEN1HDAC4 | |
| Acetic Acid SCHEMBL4134045 | 0.80 | PTPN1 (0.51) | ALDH1A1MAPTKMT2AHTTPOLB | |
| Acetic Acid SCHEMBL4134046 | 0.80 | PTPN1 (0.51) | ALDH1A1MAPTKMT2AHTTPOLB | |
| Acetic Acid SCHEMBL4136732 | 0.80 | CISD1 (0.45) | KMT2APOLBCISD1MEN1HDAC4 |
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 |