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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL6714814 | 0.94 | MEN1 (0.66) | MEN1KMT2AKDM4EALDH1A1TDP1 | |
| SCHEMBL8531035 | 0.90 | GAA (0.58) | MEN1KMT2AKDM4EALDH1A1POLB | |
| SCHEMBL8026568 | 0.87 | GAA (0.55) | MEN1KMT2AKDM4EPOLBGAA | |
| SCHEMBL3207946 | 0.84 | MEN1 (0.62) | MEN1KMT2AKDM4EALDH1A1TDP1 | |
| SCHEMBL6987403 | 0.84 | KDM4E (0.69) | MEN1KMT2AKDM4EPOLBGAA | |
| SCHEMBL5435352 | 0.83 | MEN1 (0.54) | MEN1KMT2AKDM4EALDH1A1TDP1 | |
| SCHEMBL207179 | 0.83 | GAA (0.62) | MEN1KMT2AKDM4EALDH1A1TDP1 | |
| SCHEMBL11922794 | 0.82 | KMT2A (0.60) | MEN1KMT2AKDM4EALDH1A1POLB | |
| SCHEMBL8533124 | 0.81 | GAA (0.60) | MEN1KMT2AKDM4EALDH1A1POLB | |
| SCHEMBL6929324 | 0.81 | GAA (0.60) | MEN1KMT2AKDM4EALDH1A1POLB |
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-5929112-A | USE IN PHARMACEUTICALS OR COSMETICS AS ANTIOXIDANTS, IMPROVED BIOAVAILABILITY | L'OREAL (FR) | 1999-07-27 | — | — | US | disclosed |