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 | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.58 |
| ▸ | RAB9A | P51151 | 5/20 | 0.58 |
| ▸ | PKM | P14618 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | NAMPT | P43490 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 3/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL84647 | 0.88 | — | — | |
| SCHEMBL30212452 | 0.88 | — | — | |
| SCHEMBL28325084 | 0.87 | KDM4E (0.51) | NPC1RAB9APKMKDM4ENAMPT | |
| Hydrochloric Acid SCHEMBL5753035 | 0.86 | RAB9A (0.47) | NPC1RAB9APKMKDM4ENAMPT | |
| Ammonia Solution, Strong SCHEMBL7984432 | 0.86 | — | — | |
| Iodide SCHEMBL3384560 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL7170102 | 0.86 | — | — | |
| Phosphonic Acid SCHEMBL9074395 | 0.85 | RAB9A (0.49) | NPC1RAB9APKMKDM4ENAMPT | |
| Nitrous Acid SCHEMBL3384483 | 0.85 | TP53 (0.53) | NPC1RAB9APKMKDM4ENAMPT | |
| Isophthalic Acid SCHEMBL27691842 | 0.83 | KMO (0.58) | NPC1RAB9APKMKDM4ENAMPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-107709323-A | Oxipurinol class compound and its application | 广东众生药业股份有限公司 | 2018-02-16 | — | — | CN | disclosed |
| CN-107614501-A | Hydroxyl purine compound and application thereof | 广东众生药业股份有限公司 | 2018-01-19 | — | — | CN | disclosed |