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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | TSHR | P16473 | 4/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 2/20 | 0.31 |
| ▸ | BTK | Q06187 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL28991773 | 1.00 | GAA (0.46) | GAAFFAR3LCKFYNDGAT1 | |
| Acetic Acid SCHEMBL2928244 | 1.00 | GAA (0.46) | GAAFFAR3LCKFYNDGAT1 | |
| Hydrogen Peroxide SCHEMBL3021120 | 0.97 | GAA (0.48) | GAAFFAR3LCKFYNDGAT1 | |
| Bicarbonate SCHEMBL28020933 | 0.94 | GAA (0.46) | GAAFFAR3LCKFYNDGAT1 | |
| SCHEMBL28342310 | 0.94 | GAA (0.50) | GAADGAT1ALDH1A1TSHRTDP1 | |
| SCHEMBL26684 | 0.94 | — | — | |
| SCHEMBL28358909 | 0.94 | GAA (0.50) | GAADGAT1ALDH1A1TSHRTDP1 | |
| SCHEMBL28745990 | 0.94 | GAA (0.50) | GAADGAT1ALDH1A1TSHRTDP1 | |
| Benzene SCHEMBL28127867 | 0.91 | GAA (0.44) | GAADGAT1ALDH1A1TSHRTDP1 | |
| Oxalic Acid SCHEMBL7276502 | 0.91 | GAA (0.44) | GAAFFAR3LCKFYNDGAT1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023098072-A1 | NECTIN-4-TARGETED BICYCLIC PEPTIDE NUCLIDE LIGAND AND PROBE | 北京大学第一医院 | 2023-06-08 | — | — | WO | disclosed |