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 | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.40 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.40 |
| ▸ | EDNRB | P24530 | 2/20 | 0.37 |
| ▸ | EDNRA | P25101 | 2/20 | 0.37 |
| ▸ | WDR5 | P61964 | 2/20 | 0.36 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.35 |
| ▸ | RARG | P13631 | 2/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | RARB | P10826 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | GRK2 | P25098 | 1/20 | 0.33 |
| ▸ | CASP6 | P55212 | 1/20 | 0.33 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.33 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
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 | 0.74 | MYC (0.40) | PTGDR2ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL23243079 | 0.74 | KDM4E (0.52) | PTGDR2PTGDREDNRBEDNRAWDR5 | |
| Acetic Acid SCHEMBL407646 | 0.72 | PTGDR (0.37) | PTGDR2PTGDREDNRBEDNRAWDR5 | |
| SCHEMBL16957289 | 0.72 | KDM4E (0.36) | PTGDR2PTGDRPOLBALDH1A1MEN1 | |
| Acetic Acid SCHEMBL3036024 | 0.72 | ALDH1A1 (0.47) | POLBALDH1A1KMT2ATDP1KDM4E | |
| Acetic Acid SCHEMBL404308 | 0.70 | PRNP (0.40) | PTGDR2POLBALDH1A1MEN1KMT2A | |
| SCHEMBL15567947 | 0.70 | KDM4E (0.47) | PTGDR2PTGDRWDR5POLBMEN1 | |
| SCHEMBL16905177 | 0.69 | PTGDR (0.40) | PTGDR2PTGDRMEN1KMT2AKDM4E | |
| SCHEMBL23243125 | 0.69 | WDR5 (0.45) | WDR5POLBALDH1A1MEN1KMT2A | |
| SCHEMBL7401487 | 0.69 | ALDH1A1 (0.53) | PTGDR2PTGDRPOLBALDH1A1MEN1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2389066-B1 | CYCLOPENTADIONE DERIVED HERBICIDES | SYNGENTA LTD (GB) | 2017-07-05 | — | — | EP | disclosed |
| US-8895474-B2 | Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds | SYNGENTA LIMITED (GB) | 2014-11-25 | — | — | US | disclosed |
| US-8530388-B2 | Cyclopentadione derived herbicides | SYNGENTA LIMITED (GB) | 2013-09-10 | — | — | US | disclosed |
| US-20120021912-A1 | NOVEL HERBICIDES | SYNGENTA CROP PROTECTION LLC (US) | 2012-01-26 | — | — | US | disclosed |
| EP-2389066-A1 | CYCLOPENTADIONE DERIVED HERBICIDES | Syngenta Limited (GB) | 2011-11-30 | — | — | EP | disclosed |
| EP-2387310-A1 | CYCLOPENTADIONE DERIVED HERBICIDES | Syngenta Limited (GB) | 2011-11-23 | — | — | EP | disclosed |
| US-20110275515-A1 | CYCLOPENTADIONE DERIVED HERBICIDES | SYNGENTA CROP PROTECTION, LLC (US) | 2011-11-10 | — | — | US | disclosed |
| US-D646956-S1 | TV mount | LEUNG ALEX | 2011-10-18 | — | — | US | disclosed |
| WO-2010102848-A1 | CYCLOPENTADIONE DERIVED HERBICIDES | SYNGENTA LIMITED (GB) | 2010-09-16 | — | — | WO | disclosed |
| WO-2010081894-A1 | CYCLOPENTADIONE DERIVED HERBICIDES | SYNGENTA LIMITED (GB) | 2010-07-22 | — | — | 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 (2 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-20120021912-A1 | NOVEL HERBICIDES | DDT, CYP4X1, CYP1B1 | PTGDR2 2974/4885PTGDR 3226/4885EDNRB 4122/4885 |
| US-20110275515-A1 | CYCLOPENTADIONE DERIVED HERBICIDES | DDT, CYP1B1, CYP1A1 | PTGDR2 1683/4885PTGDR 1469/4885EDNRB 3662/4885 |
“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.