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 | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | PRNP | P04156 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.40 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.40 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3661600 | 0.90 | SMN1; SMN2 (0.40) | CYP1A2CYP2C9CYP2C19PRNPPPARG | |
| Acetic Acid SCHEMBL404308 | 0.85 | PRNP (0.40) | CYP1A2CYP2C9CYP2C19PRNPPPARG | |
| Acetic Acid SCHEMBL3656033 | 0.79 | PRNP (0.36) | CYP1A2CYP2C9CYP2C19PRNPPPARG | |
| Acetic Acid SCHEMBL3033132 | 0.75 | MYC (0.40) | CYP1A2CYP2C9CYP2C19PTGDR2HPGD | |
| SCHEMBL6513432 | 0.73 | HSD17B1 (0.56) | CYP1A2CYP2C9CYP2C19PRNPPPARG | |
| SCHEMBL257249 | 0.73 | KDM4E (0.50) | CYP1A2CYP2C9CYP2C19PRNPPPARG | |
| SCHEMBL4942619 | 0.72 | PTGDR2 (0.44) | CYP1A2CYP2C9CYP2C19PRNPPPARG | |
| Acetic Acid SCHEMBL3036024 | 0.72 | ALDH1A1 (0.47) | CYP1A2HPGDMAPK1ALDH1A1KDM4E | |
| SCHEMBL23275495 | 0.71 | SETDB1 (0.47) | HPGDALDH1A1SMN1; SMN2KDM4EMEN1 | |
| SCHEMBL7787482 | 0.71 | GABRA1 (0.44) | CYP1A2CYP2C9CYP2C19PRNPPPARG |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2173755-B1 | NOVEL HERBICIDES | SYNGENTA LTD (GB) | 2017-05-17 | — | — | EP | disclosed |
| US-9102642-B2 | Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and methods of controlling weeds | SYNGENTA LIMITED (GB) | 2015-08-11 | — | — | US | disclosed |
| EP-2393796-B1 | NOVEL HERBICIDES | SYNGENTA LTD (GB) | 2015-02-25 | — | — | EP | disclosed |
| US-8940913-B2 | Herbicides | SYNGENTA CROP PROTECTION, LLC (US) | 2015-01-27 | — | — | US | disclosed |
| US-8895761-B2 | 4-phenylpyrane-3,5-diones, 4-phenylthiopyrane-3,5-diones and 2-phenylcyclohexane-1,3,5-triones as herbicides | SYNGENTA LIMITED (GB) | 2014-11-25 | — | — | US | disclosed |
| EP-2185564-B1 | Herbicidally active cyclopentanedione compounds and derivatives thereof | SYNGENTA LTD (GB) | 2014-06-18 | — | — | EP | disclosed |
| US-8754242-B2 | Herbicides | SYNGENTA CROP PROTECTION LLC (US) | 2014-06-17 | — | — | US | disclosed |
| EP-2222657-B1 | PYRANDIONES, THIOPYRANDIONES AND CYCLOHEXANTRIONES HAVING HERBICIDAL PROPERTIES | SYNGENTA LTD (GB) | 2012-09-12 | — | — | EP | disclosed |
| US-20120142529-A1 | NOVEL HERBICIDES | SYNGENTA CROP PROTECTION, INC. (US) | 2012-06-07 | — | — | US | disclosed |
| US-20120094832-A1 | NOVEL HERBICIDES | SYNGENTA LIMITED (GB) | 2012-04-19 | — | — | US | disclosed |
| US-20120021909-A1 | NOVEL HERBICIDES | SYNGENTA CROP PROTECTION LLC (US) | 2012-01-26 | — | — | US | disclosed |
| EP-2393796-A1 | NOVEL HERBICIDES | Syngenta Limited (GB) | 2011-12-14 | — | — | EP | disclosed |
| US-20100279872-A1 | 4-PHENYLPYRANE-3,5-DIONES, 4-PHENYLTHIOPYRANE-3,5-DIONES AND 2-PHENYLCYCLOHEXANE-1,3,5-TRIONES AS HERBICIDES | SYNGENTA CROP PROTECTION, INC. (US) | 2010-11-04 | — | — | US | disclosed |
| EP-2222657-A1 | 4-PHENYLPYRANE-3,5-DIONES, 4-PHENYLTHIOPYRANE-3,5-DIONES AND 2-PHENYLCYCLOHEXANE-1,3,5-TRIONES AS HERBICIDES | Syngenta Limited (GB) | 2010-09-01 | — | — | EP | disclosed |
| WO-2010089211-A1 | NOVEL HERBICIDES | SYNGENTA LIMITED (GB) | 2010-08-12 | — | — | WO | disclosed |
| EP-2185564-A2 | TRICYCLIC BRIDGED CYCLOPENTANEDIONE DERIVATIVES AS HERBICIDES | Syngenta Limited (GB) | 2010-05-19 | — | — | EP | disclosed |
| EP-2173755-A1 | NOVEL HERBICIDES | Syngenta Limited (GB) | 2010-04-14 | — | — | EP | disclosed |
| WO-2009074314-A1 | 4-PHENYLPYRANE-3,5-DIONES, 4-PHENYLTHIOPYRANE-3,5-DIONES AND 2-PHENYLCYCLOHEXANE-1,3,5-TRIONES AS HERBICIDES | SYNGENTA LIMITED (GB) | 2009-06-18 | — | — | WO | disclosed |
| WO-2009019015-A1 | NOVEL HERBICIDES | SYNGENTA LIMITED (GB) | 2009-02-12 | — | — | WO | disclosed |
| WO-2009019005-A2 | NOVEL HERBICIDES | SYNGENTA LIMITED (GB) | 2009-02-12 | — | — | 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 (4 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-20120021909-A1 | NOVEL HERBICIDES | DDT, CYP4X1, CYP1B1 | CYP1A2 67/4885CYP2C9 249/4885CYP2C19 601/4885 |
| US-20120142529-A1 | NOVEL HERBICIDES | DDT, CYP4X1, CYP1B1 | CYP1A2 67/4885CYP2C9 249/4885CYP2C19 601/4885 |
| US-20120094832-A1 | NOVEL HERBICIDES | DDT, CYP1B1, CYP1A1 | CYP1A2 68/4885CYP2C9 270/4885CYP2C19 677/4885 |
| US-20100279872-A1 | 4-PHENYLPYRANE-3,5-DIONES, 4-PHENYLTHIOPYRANE-3,5-DIONES AND 2-PHENYLCYCLOHEXANE-1,3,5-TRIONES AS HERBICIDES | DDT, HPD, THOP1 | CYP1A2 10/4885CYP2C9 250/4885CYP2C19 371/4885 |
“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.