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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 4/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.52 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.52 |
| ▸ | CES1 | P23141 | 2/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | CTSD | P07339 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 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 SCHEMBL9776181 | 0.95 | HDAC3 (0.52) | HDAC3HDAC1HDAC2HDAC8FFAR3 | |
| SCHEMBL29580914 | 0.95 | HDAC3 (0.57) | HDAC3HDAC1HDAC2HDAC8FFAR3 | |
| Acetic Acid SCHEMBL29871277 | 0.91 | HDAC3 (0.48) | HDAC3HDAC1HDAC2HDAC8FFAR3 | |
| SCHEMBL21219180 | 0.90 | HDAC3 (0.57) | HDAC3HDAC1HDAC2HDAC8FFAR3 | |
| SCHEMBL21236946 | 0.90 | HDAC3 (0.57) | HDAC3HDAC1HDAC2HDAC8FFAR3 | |
| SCHEMBL21219168 | 0.90 | HDAC3 (0.57) | HDAC3HDAC1HDAC2HDAC8FFAR3 | |
| SCHEMBL3101289 | 0.90 | HDAC3 (0.62) | HDAC3HDAC1HDAC2HDAC8FFAR3 | |
| SCHEMBL21219182 | 0.90 | HDAC3 (0.57) | HDAC3HDAC1HDAC2HDAC8FFAR3 | |
| SCHEMBL21219174 | 0.90 | HDAC3 (0.57) | HDAC3HDAC1HDAC2HDAC8FFAR3 | |
| SCHEMBL21219170 | 0.90 | HDAC3 (0.57) | HDAC3HDAC1HDAC2HDAC8FFAR3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5821314-A | COMPOUND OR MIXTURE OF COMPOUNDS HAVING EPOXY GROUP, REACTIVE SILICON GROUP, HYDROXYL AND/OR CARBOXYL GROUP, ORGANIC CHELATE CATALYST CONTAINING TETRAVALENT TIN ATOM AND KETO-ENOL TAUTOMER | KANSAI PAINT COMPANY, LIMITED (JP) | 1998-10-13 | — | — | US | disclosed |