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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL127815 | 0.91 | BACE1 (0.38) | ALDH1A1BACE1TSHRTDP1MAPT | |
| SCHEMBL5937737 | 0.76 | — | — | |
| Methacrylic Acid SCHEMBL4815762 | 0.69 | ALDH1A1 (0.33) | ALDH1A1TSHR | |
| Carbamic Acid SCHEMBL9839794 | 0.67 | ALDH1A1 (0.30) | ALDH1A1TSHR | |
| SCHEMBL8694794 | 0.65 | — | — | |
| SCHEMBL9505246 | 0.64 | ALDH1A1 (0.32) | ALDH1A1TSHRMAPT | |
| SCHEMBL2992065 | 0.64 | BACE1 (0.33) | BACE1 | |
| SCHEMBL2992061 | 0.64 | BACE1 (0.33) | BACE1 | |
| SCHEMBL179776 | 0.64 | BACE1 (0.33) | BACE1 | |
| SCHEMBL3495820 | 0.64 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7951814-B2 | Quinazolinedione derivatives as TRPA1 modulators | GLENMARK PHARMACEUTICALS, S.A. (CH) | 2011-05-31 | — | — | US | disclosed |
| WO-2010004390-A1 | QUINAZOLINE DIONE DERIVATIVES AS TRPA1 MODULATORS | GLENMARK PHARMACEUTICALS, S.A. (CH) | 2010-01-14 | — | — | WO | disclosed |
| US-20090325987-A1 | QUINAZOLINEDIONE DERIVATIVES AS TRPA1 MODULATORS | GLENMARK PHARMACEUTICALS, S.A. (CH) | 2009-12-31 | — | — | 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-20090325987-A1 | QUINAZOLINEDIONE DERIVATIVES AS TRPA1 MODULATORS | TRPA1, TRPV1, TRPC3 | ALDH1A1 871/4885USP2 3478/4885BACE1 2191/4885 |
“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.