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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC2 | Q92769 | 10/20 | 0.69 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.64 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 7/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | SNCA | P37840 | 7/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.48 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.48 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.48 |
| ▸ | ABL1 | P00519 | 2/20 | 0.48 |
| ▸ | BCR | P11274 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL5226704 | 0.95 | HDAC2 (0.76) | HDAC2KCNH2HDAC1HDAC3CYP1A2 | |
| Acetic Acid SCHEMBL6206020 | 0.93 | HDAC2 (0.74) | HDAC2KCNH2HDAC1HDAC3CYP1A2 | |
| Acetic Acid SCHEMBL6345904 | 0.85 | HDAC2 (0.52) | HDAC2KCNH2HDAC1HDAC3CYP1A2 | |
| SCHEMBL27620288 | 0.83 | HDAC2 (0.63) | HDAC2KCNH2HDAC1HDAC3CYP1A2 | |
| SCHEMBL20181525 | 0.82 | HDAC2 (1.00) | HDAC2KCNH2HDAC1HDAC3CYP1A2 | |
| SCHEMBL5224561 | 0.82 | HDAC2 (0.76) | HDAC2KCNH2HDAC1HDAC3CYP1A2 | |
| SCHEMBL5225836 | 0.80 | HDAC2 (0.60) | HDAC2KCNH2HDAC1HDAC3SNCA | |
| SCHEMBL5226372 | 0.80 | HDAC2 (0.61) | HDAC2KCNH2HDAC1HDAC3CYP1A2 | |
| SCHEMBL5224548 | 0.79 | HDAC2 (0.56) | HDAC2KCNH2HDAC1HDAC3CYP1A2 | |
| SCHEMBL20181507 | 0.78 | KCNH2 (1.00) | HDAC2KCNH2HDAC1HDAC3CYP1A2 |
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-1501508-A1 | INHIBITORS OF HISTONE DEACETYLASE | Astrazeneca AB (SE) | 2005-02-02 | — | — | EP | disclosed |
| WO-2003092686-A1 | INHIBITORS OF HISTONE DEACETYLASE | ASTRAZENECA AB (SE) | 2003-11-13 | — | — | WO | disclosed |