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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.56 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.50 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.47 |
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 1/20 | 0.46 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.45 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.44 |
| ▸ | ALPL | P05186 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | ELANE | P08246 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | PSMB5 | P28074 | 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 | |
|---|---|---|---|---|
| SCHEMBL3285155 | 0.88 | ESR2 (0.63) | ESR2HDAC7PTGDR2PPARGPPARA | |
| Formic Acid SCHEMBL28903029 | 0.85 | ESR2 (0.56) | ESR2HDAC7PTGDR2PPARGPPARA | |
| Methylamine SCHEMBL28884788 | 0.84 | ESR2 (0.59) | ESR2HDAC7PTGDR2PPARGPPARA | |
| SCHEMBL28695736 | 0.81 | ESR2 (0.52) | ESR2HDAC7PTGDR2PPARGPPARA | |
| SCHEMBL12424116 | 0.81 | CNR2 (0.57) | ESR2HSD17B1CNR2L3MBTL1TDP1 | |
| Acetic Acid SCHEMBL11702188 | 0.80 | ALDH1A1 (0.55) | ESR2HDAC7PTGDR2PPARGPPARA | |
| SCHEMBL8679278 | 0.79 | ESR2 (0.52) | ESR2HDAC7PTGDR2L3MBTL1MAOB | |
| Acetic Acid SCHEMBL8166639 | 0.78 | MCL1 (0.53) | ESR2PPARGPPARACA9 | |
| SCHEMBL5608472 | 0.78 | HSD17B1 (0.62) | ESR2PPARGPPARAHSD17B1L3MBTL1 | |
| SCHEMBL9271820 | 0.78 | HDAC7 (0.58) | ESR2HDAC7PTGDR2CNR2L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2429979-A1 | NOVEL HERBICIDES | Syngenta Limited (GB) | 2012-03-21 | — | — | EP | disclosed |
| US-20120065066-A1 | NOVEL HERBICIDES | SYNGENTA CROP PROTECTION LLC (US) | 2012-03-15 | — | — | US | disclosed |
| WO-2010133232-A1 | NOVEL HERBICIDES | SYNGENTA LIMITED (GB) | 2010-11-25 | — | — | WO | 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-20120065066-A1 | NOVEL HERBICIDES | DDT, CYP4X1, CYP1B1 | ESR2 1787/4885HDAC7 1307/4885PTGDR2 2974/4885 |
“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.