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 | |
|---|---|---|---|---|
| ▸ | NOS3 known ✓ | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 known ✓ | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 known ✓ | P35228 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | GLI1 | P08151 | 1/20 | 0.34 |
| ▸ | SLC6A1 | P30531 | 4/20 | 0.31 |
| ▸ | SLC6A11 | P48066 | 3/20 | 0.31 |
| ▸ | SLC6A13 | Q9NSD5 | 3/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.31 |
| ▸ | SLC6A12 | P48065 | 2/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5909288 | 0.92 | — | — | |
| SCHEMBL869800 | 0.92 | — | — | |
| SCHEMBL5328 | 0.92 | — | — | |
| Piperazine SCHEMBL28120340 | 0.90 | KDM4E (0.42) | KDM4EMAPTKMT2AATMCYP2D6 | |
| Hydrochloric Acid SCHEMBL27871150 | 0.90 | KDM4E (0.42) | KDM4EMAPTKMT2AATMCYP2D6 | |
| Hydrochloric Acid SCHEMBL27837986 | 0.90 | KDM4E (0.42) | KDM4EMAPTKMT2AATMCYP2D6 | |
| SCHEMBL28095750 | 0.85 | KDM4E (0.36) | KDM4EMAPTKMT2AATMCYP2D6 | |
| Trifluoroacetic Acid SCHEMBL28194920 | 0.83 | KDM4E (0.35) | KDM4EMAPTKMT2AATMCYP2D6 | |
| Butyric Acid SCHEMBL28233191 | 0.83 | FFAR3 (0.42) | KDM4EMAPTKMT2AATMCYP2D6 | |
| SCHEMBL31714197 | 0.82 | KDM4E (0.46) | KDM4EMAPTKMT2AATMCYP2D6 |
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-105399698-A | Aromatic heterocyclic derivatives and applications of aromatic heterocyclic derivatives in medicines | GUANGDONG HEC PHARMACEUTICAL | 2016-03-16 | — | — | CN | disclosed |