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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.71 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.64 |
| ▸ | RARB | P10826 | 5/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | RARA | P10276 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 1/20 | 0.60 |
| ▸ | MTOR | P42345 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.60 |
| ▸ | PLK1 | P53350 | 6/20 | 0.59 |
| ▸ | THRA | P10827 | 1/20 | 0.59 |
| ▸ | THRB | P10828 | 1/20 | 0.59 |
| ▸ | SMPD1 | P17405 | 2/20 | 0.58 |
| ▸ | PLK3 | Q9H4B4 | 3/20 | 0.58 |
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 SCHEMBL9504741 | 1.00 | HDAC1 (0.71) | HDAC1HDAC8RARBMEN1ALDH1A1 | |
| SCHEMBL9504756 | 0.95 | HDAC1 (0.73) | HDAC1HDAC8RARBMEN1ALDH1A1 | |
| SCHEMBL8060359 | 0.94 | HDAC1 (0.70) | HDAC1HDAC8RARBMEN1ALDH1A1 | |
| SCHEMBL4185605 | 0.91 | RARB (0.69) | HDAC1HDAC8RARBMEN1ALDH1A1 | |
| SCHEMBL6919330 | 0.89 | PLK1 (0.74) | HDAC1HDAC8RARBPLK1THRA | |
| SCHEMBL21628684 | 0.87 | HDAC1 (0.61) | HDAC1HDAC8RARBMEN1ALDH1A1 | |
| SCHEMBL21628550 | 0.85 | HDAC1 (0.59) | HDAC1HDAC8RARBPLK1THRB | |
| SCHEMBL4580313 | 0.83 | HDAC1 (1.00) | HDAC1HDAC8 | |
| SCHEMBL4824490 | 0.82 | PLK1 (0.65) | RARBMEN1ALDH1A1RARAMAPT | |
| SCHEMBL9206725 | 0.82 | PLK1 (0.65) | RARBMEN1ALDH1A1RARAMAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0161939-B1 | ARYLHYDROXAMATES | E.R. Squibb & Sons, Inc. (US) | 1993-07-21 | — | — | EP | disclosed |
| CN-85104470-A | The method for preparing arythydroxamtes | — | 1986-10-01 | — | — | CN | disclosed |
| US-4607053-A | L2POXYGENASE INHIBITORS | E. R. SQUIBB & SONS, INC. (US) | 1986-08-19 | — | — | US | disclosed |
| EP-0161939-A2 | Arylhydroxamates | E.R. Squibb & Sons, Inc. (US) | 1985-11-21 | — | — | EP | disclosed |