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 | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | GLA | P06280 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | AGBL2 | Q5U5Z8 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1122017 | 0.90 | TDP1 (0.55) | KMT2AMEN1NPSR1MAPTGLA | |
| SCHEMBL31255200 | 0.90 | TDP1 (0.55) | KMT2AMEN1NPSR1MAPTGLA | |
| Acetic Acid SCHEMBL5046683 | 0.89 | KMT2A (0.55) | KMT2AMEN1NPSR1MAPTGLA | |
| Hydrochloric Acid SCHEMBL1122045 | 0.88 | TDP1 (0.54) | KMT2AMEN1NPSR1MAPTGLA | |
| Hydrochloric Acid SCHEMBL6603171 | 0.88 | TDP1 (0.54) | KMT2AMEN1NPSR1MAPTGLA | |
| Acetic Acid SCHEMBL28417972 | 0.87 | KMT2A (0.54) | KMT2AMEN1NPSR1MAPTGLA | |
| SCHEMBL1855724 | 0.83 | MAPT (0.60) | KMT2AMEN1NPSR1MAPTGLA | |
| SCHEMBL5717719 | 0.81 | MAPT (0.58) | KMT2AMEN1NPSR1MAPTGLA | |
| SCHEMBL3771280 | 0.81 | TDP1 (0.52) | KMT2AMEN1NPSR1MAPTGLA | |
| Acetic Acid SCHEMBL28393632 | 0.81 | KMT2A (0.53) | KMT2AMEN1NPSR1MAPTGLA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7572818-B2 | Fungicides; N-{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl}-2-trifluoromethylbenzamide; -{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl}-2-iodobenzamide; -{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl}-2-bromobenzamide | BAYER CROPSCIENCE S.A. (FR) | 2009-08-11 | — | — | US | disclosed |
| EP-1531673-B1 | NOVEL 2-PYRIDYLETHYLBENZAMIDE DERIVATIVE | BAYER CROPSCIENCE SA (FR) | 2006-01-04 | — | — | EP | disclosed |
| US-20050234110-A1 | Novel 2-pyridylethylbenzamide derivative | BAYER SAS (FR) | 2005-10-20 | — | — | US | disclosed |
| EP-1531673-A2 | NOVEL 2-PYRIDYLETHYLBENZAMIDE DERIVATIVE | Bayer CropScience S.A. (FR) | 2005-05-25 | — | — | EP | disclosed |
| WO-2004016088-A2 | NOVEL 2-PYRIDYLETHYLBENZAMIDE DERIVATIVE | BAYER CROPSCIENCE S.A. (FR) | 2004-02-26 | — | — | WO | disclosed |
| EP-1389614-A1 | Novel N-[2-(2-Pyridyl)ethyl]benzamide derivatives as fungicides | Bayer CropScience S.A. (FR) | 2004-02-18 | — | — | EP | 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-20050234110-A1 | Novel 2-pyridylethylbenzamide derivative | PNPO, PAH, CNPY2 | KMT2A 1827/4885MEN1 4496/4885NPSR1 3117/4885 |
“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.