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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.31 |
| ▸ | NR1D1 | P20393 | 3/20 | 0.30 |
| ▸ | NR1H3 | Q13133 | 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 | |
|---|---|---|---|---|
| SCHEMBL9338982 | 0.80 | CYP2D6 (0.37) | CYP2D6NR1D1NR1H3 | |
| SCHEMBL2707268 | 0.78 | TDP1 (0.34) | CYP2D6NR1D1NR1H3 | |
| SCHEMBL3780438 | 0.77 | CYP2D6 (0.35) | CYP2D6NR1D1NR1H3 | |
| SCHEMBL3780442 | 0.75 | TDP1 (0.32) | CYP2D6NR1D1 | |
| SCHEMBL27420033 | 0.75 | NR1D1 (0.38) | CYP2D6NR1D1NR1H3 | |
| SCHEMBL24709491 | 0.74 | SLC7A5 (0.35) | SLC7A5NR1D1NR1H3 | |
| SCHEMBL24709492 | 0.74 | SLC7A5 (0.35) | SLC7A5NR1D1NR1H3 | |
| SCHEMBL9339020 | 0.74 | CA12 (0.33) | CYP2D6NR1D1NR1H3 | |
| Acetic Acid SCHEMBL6839802 | 0.73 | CYP2D6 (0.33) | CYP2D6 | |
| SCHEMBL419703 | 0.72 | TDP1 (0.42) | CYP2D6NR1D1NR1H3 |
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-6759509-B1 | CONJUGATES CONTAINING A TARGETING LIGAND, SUCH AS AN ANTIBODY, A THERAPEUTICALLY ACTIVE DRUG AND A BRANCHED PEPTIDE LINKER | BRISTOL-MYERS SQUIBB COMPANY | 2004-07-06 | — | — | US | disclosed |