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 | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.56 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.50 |
| ▸ | CIT | O14578 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | ALPI | P09923 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.49 |
| ▸ | XIAP | P98170 | 1/20 | 0.49 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.49 |
| ▸ | LTA4H | P09960 | 4/20 | 0.48 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.47 |
| ▸ | AKT1 | P31749 | 1/20 | 0.47 |
| ▸ | CTSC | P53634 | 1/20 | 0.47 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2312372 | 0.85 | BACE1 (0.63) | BACE1HDAC8CITMEN1NPC1 | |
| SCHEMBL28279157 | 0.85 | BACE1 (0.63) | BACE1HDAC8CITMEN1NPC1 | |
| SCHEMBL2312361 | 0.85 | BACE1 (0.63) | BACE1HDAC8CITMEN1NPC1 | |
| SCHEMBL29002157 | 0.84 | MAPK1 (0.63) | BACE1HDAC8CITMEN1NPC1 | |
| SCHEMBL28085751 | 0.84 | MAPK1 (0.63) | BACE1HDAC8CITMEN1NPC1 | |
| SCHEMBL28085745 | 0.84 | MAPK1 (0.63) | BACE1HDAC8CITMEN1NPC1 | |
| Hydrochloric Acid SCHEMBL5960990 | 0.84 | HDAC8 (0.65) | BACE1HDAC8CITMEN1NPC1 | |
| Hydrochloric Acid SCHEMBL5960992 | 0.84 | HDAC8 (0.65) | BACE1HDAC8CITMEN1NPC1 | |
| SCHEMBL3007885 | 0.83 | BACE1 (0.58) | BACE1HDAC8CITMEN1NPC1 | |
| SCHEMBL3007881 | 0.83 | BACE1 (0.58) | BACE1HDAC8CITMEN1NPC1 |
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-6284914-B1 | HYDROXAMIC ACID DERIVATIVES | FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) | 2001-09-04 | — | — | US | disclosed |