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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.67 |
| ▸ | TP53 | P04637 | 1/20 | 0.64 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.50 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.50 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.50 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.50 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.50 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | LCK | P06239 | 1/20 | 0.48 |
| ▸ | PPARD | Q03181 | 1/20 | 0.48 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.48 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.48 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.47 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.47 |
| ▸ | LAP3 | P28838 | 1/20 | 0.47 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
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 SCHEMBL5575019 | 0.98 | OPRM1 (0.70) | OPRM1TP53GPR84GRIK1GRIK2 | |
| Tuaminoheptane SCHEMBL5568060 | 0.96 | OPRM1 (0.73) | OPRM1TP53GPR84GRIK1GRIK2 | |
| Bicarbonate SCHEMBL9188645 | 0.91 | OPRM1 (0.73) | OPRM1TP53GPR84GRIK1GRIK2 | |
| Carbamic Acid SCHEMBL28702337 | 0.89 | OPRM1 (0.70) | OPRM1TP53GPR84GRIK1GRIK2 | |
| Tuaminoheptane SCHEMBL25287775 | 0.89 | OPRM1 (0.76) | OPRM1TP53GPR84GRIK1GRIK2 | |
| Tuaminoheptane SCHEMBL3365884 | 0.89 | OPRM1 (0.76) | OPRM1TP53GPR84GRIK1GRIK2 | |
| Acetic Acid SCHEMBL5571311 | 0.89 | OPRM1 (0.61) | OPRM1TP53GRIK1GRIK2ACE2 | |
| Tuaminoheptane SCHEMBL8359697 | 0.89 | OPRM1 (0.76) | OPRM1TP53GPR84GRIK1GRIK2 | |
| SCHEMBL5574135 | 0.88 | OPRM1 (0.67) | OPRM1TP53GPR84GRIK1GRIK2 | |
| Propionic Acid SCHEMBL5571670 | 0.88 | OPRM1 (0.67) | OPRM1TP53GPR84GRIK1GRIK2 |
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-6106906-A | FORMING ELECTROCONDUCTIVE FILM OF ORGANOMETALLIC COMPLEX | CANON KABUSHIKI KAISHA (JP) | 2000-08-22 | — | — | US | disclosed |