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 | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.47 |
| ▸ | LCK | P06239 | 1/20 | 0.47 |
| ▸ | FYN | P06241 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Acetone SCHEMBL11735665 | 0.90 | LMNA (0.43) | FFAR3LCKFYNLMNAUSP2 | |
| SCHEMBL2835578 | 0.84 | ALDH1A1 (0.35) | ALDH1A1TSHR | |
| Hydrogen Peroxide SCHEMBL29582748 | 0.83 | MEN1 (0.33) | MEN1HTTKMT2AUSP2ALOX15 | |
| Methyl Alcohol SCHEMBL27762337 | 0.82 | USP2 (0.35) | MEN1HTTKMT2AUSP2ALOX15 | |
| SCHEMBL3277 | 0.82 | MEN1 (0.33) | MEN1HTTKMT2AUSP2ALOX15 | |
| SCHEMBL10797895 | 0.82 | MEN1 (0.33) | MEN1HTTKMT2AUSP2ALOX15 | |
| Urea SCHEMBL28280548 | 0.80 | LMNA (0.40) | LMNAUSP2ALOX15ALDH1A1TSHR | |
| SCHEMBL11248143 | 0.79 | USP2 (0.33) | USP2ALOX15 | |
| Phosphoric Acid SCHEMBL9750288 | 0.79 | CA2 (0.40) | MEN1KMT2ALMNAUSP2ALOX15 | |
| SCHEMBL16268590 | 0.78 | MEN1 (0.32) | MEN1HTTKMT2AUSP2ALOX15 |
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-104507928-B | Heterocyclic modulators of lipid synthesis | 3-V生物科学股份有限公司 | 2016-09-28 | — | — | CN | disclosed |