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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.54 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.87 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.65 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.65 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.65 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.65 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.65 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.65 |
| ▸ | FAAH | O00519 | 1/20 | 0.57 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.54 |
| ▸ | PPARG | P37231 | 7/20 | 0.54 |
| ▸ | PPARD | Q03181 | 7/20 | 0.54 |
| ▸ | PPARA | Q07869 | 7/20 | 0.54 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.54 |
| ▸ | TSHR | P16473 | 4/20 | 0.54 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | TLR2 | O60603 | 2/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | FABP4 | P15090 | 2/20 | 0.54 |
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 SCHEMBL9836249 | 1.00 | HSP90AA1 (0.87) | HSP90AA1HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL1290964 | 0.93 | HSP90AA1 (1.00) | HSP90AA1HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL20915286 | 0.93 | HSP90AA1 (1.00) | HSP90AA1HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL331039 | 0.93 | HSP90AA1 (1.00) | HSP90AA1HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL7945790 | 0.93 | HSP90AA1 (1.00) | HSP90AA1HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL23203038 | 0.93 | HSP90AA1 (1.00) | HSP90AA1HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL4155670 | 0.93 | HSP90AA1 (1.00) | HSP90AA1HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL20602650 | 0.93 | HSP90AA1 (1.00) | HSP90AA1HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL5575814 | 0.93 | HSP90AA1 (1.00) | HSP90AA1HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL2403692 | 0.93 | HSP90AA1 (1.00) | HSP90AA1HDAC3HDAC1HDAC2HDAC8 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0200377-B1 | HYDROXAMATES | SQUIBB & SONS INC (US) | 1991-10-09 | — | — | EP | disclosed |
| EP-0200377-A2 | Hydroxamates | E.R. Squibb & Sons, Inc. (US) | 1986-11-05 | — | — | EP | disclosed |
| US-4604407-A | Hydroxamates | E. R. SQUIBB & SONS, INC. (US) | 1986-08-05 | — | — | US | disclosed |