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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.49 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | KDM1A | O60341 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | FYN | P06241 | 1/20 | 0.43 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.43 |
| ▸ | DRD5 | P21918 | 1/20 | 0.41 |
| ▸ | VCP | P55072 | 1/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | HTR5A | P47898 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
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 SCHEMBL3948445 | 1.00 | HDAC1 (0.52) | HDAC1EPHX1CYP2D6EPHX2ENPP2 | |
| SCHEMBL13137256 | 0.92 | NPC1 (0.52) | HDAC1EPHX1CYP2D6EPHX2ENPP2 | |
| SCHEMBL13137259 | 0.84 | HDAC1 (0.48) | HDAC1NPC1KDM1AMAOAMAOB | |
| Acetic Acid SCHEMBL3051700 | 0.74 | EPHX1 (0.43) | HDAC1EPHX1CYP2D6EPHX2ENPP2 | |
| SCHEMBL3051310 | 0.74 | ROCK2 (0.56) | HDAC1FYNGRIN2B | |
| SCHEMBL13137258 | 0.74 | EPHX1 (0.46) | EPHX1CYP2D6EPHX2ENPP2NPC1 | |
| SCHEMBL3948449 | 0.74 | ENPP2 (0.47) | EPHX1CYP2D6EPHX2ENPP2NPC1 | |
| SCHEMBL1785708 | 0.73 | HDAC1 (0.60) | HDAC1EPHX2KDM1AMAOAMAOB | |
| Trifluoroacetic Acid SCHEMBL3050323 | 0.73 | SLC2A1 (0.51) | HDAC1FYNSLC2A1HTR5AGRIN2B | |
| SCHEMBL3044397 | 0.72 | HDAC1 (0.46) | HDAC1FYNSLC2A1GRIN2B |
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-20100222345-A1 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS | SMITHKLINE BEECHAM CORPORATION | 2010-09-02 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100222345-A1 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS | OPRL1, OPRM1, OPRK1 | HDAC1 2221/4885EPHX1 1774/4885CYP2D6 1283/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.