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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.63 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.63 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | GFER | P55789 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 3/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL1822554 | 0.88 | CYP1A2 (0.67) | KDM4EALDH1A1L3MBTL1NPSR1CYP2C19 | |
| SCHEMBL31106560 | 0.88 | CYP1A2 (0.67) | KDM4EALDH1A1L3MBTL1NPSR1CYP2C19 | |
| Fumaric Acid SCHEMBL9081893 | 0.88 | ALDH1A1 (0.60) | KDM4EALDH1A1L3MBTL1NPSR1CYP2C19 | |
| Hydrochloric Acid SCHEMBL28330520 | 0.87 | CYP1A2 (0.65) | KDM4EALDH1A1L3MBTL1NPSR1CYP2C19 | |
| SCHEMBL3161186 | 0.87 | CYP2C19 (0.65) | KDM4EALDH1A1L3MBTL1NPSR1CYP2C19 | |
| SCHEMBL8634159 | 0.83 | CYP1A2 (0.65) | KDM4EALDH1A1L3MBTL1NPSR1CYP2C19 | |
| SCHEMBL23188192 | 0.83 | ALDH1A1 (0.67) | KDM4EALDH1A1L3MBTL1NPSR1CYP2C19 | |
| Acetic Acid SCHEMBL28007984 | 0.82 | CXCR4 (0.54) | KDM4EALDH1A1L3MBTL1NPSR1KMT2A | |
| SCHEMBL8211724 | 0.81 | KDM4E (0.68) | KDM4EALDH1A1L3MBTL1NPSR1CYP2C19 | |
| SCHEMBL21044013 | 0.81 | KDM4E (0.68) | KDM4EALDH1A1L3MBTL1NPSR1CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104394869-A | Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators | GLAXOSMITHKLINE LLC | 2015-03-04 | — | — | CN | disclosed |