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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | PTPRC | P08575 | 1/20 | 0.37 |
| ▸ | PTPRG | P23470 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | DHODH | Q02127 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL3033132 | 0.80 | MYC (0.40) | ALDH1A1MAPTHPGDCYP1A2KMT2A | |
| Acetic Acid SCHEMBL404308 | 0.76 | PRNP (0.40) | ALDH1A1MAPTCYP1A2MAPK1KMT2A | |
| SCHEMBL1396978 | 0.72 | ALDH1A1 (0.65) | ALDH1A1MAPTHPGDCYP1A2KMT2A | |
| Acetic Acid SCHEMBL403378 | 0.72 | CYP1A2 (0.40) | ALDH1A1MAPTHPGDCYP1A2MAPK1 | |
| Acetic Acid SCHEMBL407645 | 0.72 | PTGDR2 (0.40) | ALDH1A1MAPTKMT2APOLBKDM4E | |
| Acetic Acid SCHEMBL27591821 | 0.71 | CES2 (0.55) | ALDH1A1MAPTCYP1A2MAPK1KMT2A | |
| Acetic Acid SCHEMBL270930 | 0.71 | MEN1 (0.40) | ALDH1A1HPGDKMT2AKDM4E | |
| Acetic Acid SCHEMBL7439099 | 0.70 | ALDH1A1 (0.50) | ALDH1A1CYP1A2KMT2AHTTLMNA | |
| Acetic Acid SCHEMBL262054 | 0.69 | TSHR (0.48) | ALDH1A1KMT2AKDM4ELMNA | |
| SCHEMBL30249448 | 0.69 | ALDH1A1 (0.63) | ALDH1A1MAPTHPGDCYP1A2KMT2A |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2155645-B1 | HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS | SYNGENTA LTD (GB) | 2017-06-14 | — | — | EP | disclosed |
| US-9006429-B2 | Herbicidal pyrandione, thiopyrandione, and cyclohexanetrione derivatives | SYNGENTA CROP PROTECTION, LLC (US) | 2015-04-14 | — | — | US | disclosed |
| US-8828908-B2 | Herbicidally active bicyclic 1,3-dione compounds | SYNGENTA LIMITED (GB) | 2014-09-09 | — | — | US | disclosed |
| EP-2102181-B1 | 4-PHENYL-PYRANE-3,5-DIONES, 4-PHENYL-THIOPYRANE-3,5-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2014-06-18 | — | — | EP | disclosed |
| US-8680012-B2 | 4-phenyl-pyrane-3,5-diones,4-phenyl-thiopyrane-3,6-diones and cyclohexanetriones as novel herbicides | SYNGENTA CROP PROTECTION LLC (US) | 2014-03-25 | — | — | US | disclosed |
| US-20140005389-A1 | NOVEL HERBICIDES | SYNGENTA CROP PROTECTION LLC (US) | 2014-01-02 | — | — | US | disclosed |
| US-20100216638-A1 | HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS | SYNGENTA CROP PROTECTION, INC. (US) | 2010-08-26 | — | — | US | disclosed |
| US-20100210466-A1 | 4-PHENYL-PYRANE-3,5-DIONES,4-PHENYL-THIOPYRANE-3,6-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2010-08-19 | — | — | US | disclosed |
| EP-2155645-A1 | HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS | Syngenta Limited (GB) | 2010-02-24 | — | — | EP | disclosed |
| EP-2102181-A1 | 4-PHENYL-PYRANE-3,5-DIONES, 4-PHENYL-THIOPYRANE-3,5-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES | Syngeta Participations AG (CH) | 2009-09-23 | — | — | EP | disclosed |
| WO-2008145336-A1 | HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS | SYNGENTA LIMITED (GB) | 2008-12-04 | — | — | WO | disclosed |
| WO-2008071405-A1 | 4-PHENYL-PYRANE-3,5-DIONES, 4-PHENYL-THIOPYRANE-3,5-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2008-06-19 | — | — | 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 (3 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-20100210466-A1 | 4-PHENYL-PYRANE-3,5-DIONES,4-PHENYL-THIOPYRANE-3,6-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES | DDT, HPD, CYP4B1 | ALDH1A1 115/4885MAPT 2974/4885HPGD 816/4885 |
| US-20100216638-A1 | HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS | DDT, CYP1B1, CYP1A1 | ALDH1A1 22/4885MAPT 4373/4885HPGD 1431/4885 |
| US-20140005389-A1 | NOVEL HERBICIDES | DDT, HPD, HCAR3 | ALDH1A1 239/4885MAPT 2796/4885HPGD 625/4885 |
“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.