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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CTSK | P43235 | 4/20 | 0.38 |
| ▸ | BTK | Q06187 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.36 |
| ▸ | APLNR | P35414 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 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 | |
|---|---|---|---|---|
| SCHEMBL303868 | 0.92 | — | — | |
| SCHEMBL15512903 | 0.90 | TDP1 (0.39) | MEN1GAAKMT2ATDP1DGAT1 | |
| SCHEMBL28175005 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL27497408 | 0.90 | DGAT1 (0.42) | MEN1GAAKMT2ATDP1DGAT1 | |
| SCHEMBL30402270 | 0.90 | DGAT1 (0.42) | MEN1GAAKMT2ATDP1DGAT1 | |
| Acetic Acid Methyl Ester SCHEMBL7023797 | 0.88 | ALDH1A1 (0.48) | MEN1GAAKMT2ATDP1DGAT1 | |
| Propane SCHEMBL28996705 | 0.85 | CA1 (0.44) | MEN1GAAKMT2ATDP1DGAT1 | |
| Trifluoroacetic Acid SCHEMBL28219008 | 0.84 | MEN1 (0.38) | MEN1GAAKMT2ATDP1DGAT1 | |
| Alcohol SCHEMBL23629777 | 0.83 | TDP1 (0.47) | MEN1GAAKMT2ATDP1DGAT1 | |
| SCHEMBL15715986 | 0.83 | APLNR (0.39) | MEN1GAAKMT2ATDP1DGAT1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114867529-B | Novel heteroaryl triazole compounds as pesticides | 拜耳公司 | 2024-09-27 | — | — | CN | disclosed |
| CN-117567338-A | Novel heteroaryl triazole compounds as pesticides | 拜耳公司 | 2024-02-20 | — | — | CN | disclosed |
| CN-114008044-A | Pyridyl or pyrimidinyl MTOR kinase inhibitors | 葛兰素史密斯克莱知识产权发展有限公司 | 2022-02-01 | — | — | CN | disclosed |
| EP-1854792-B1 | 1-(2H)-ISOQUINOLONE DERIVATIVE | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2012-12-26 | — | — | EP | disclosed |
| CN-101160303-B | 1- (2H) -isoquinolone derivatives | CHUGAI PHARMACEUTICAL CO LTD | 2011-09-28 | — | — | CN | disclosed |
| US-7820693-B2 | 1-(2H)-isoquinolone derivative | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2010-10-26 | — | — | US | disclosed |
| US-20090030195-A1 | 1-(2H)-ISOQUINOLONE DERIVATIVE | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2009-01-29 | — | — | US | disclosed |
| CN-101160303-A | 1- (2H) -isoquinolone derivatives | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2008-04-09 | — | — | CN | disclosed |
| EP-1854792-A1 | 1-(2H)-ISOQUINOLONE DERIVATIVE | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2007-11-14 | — | — | EP | disclosed |
| US-6310070-B1 | FOR TREATING NEPHRITIS, IMPROVING PROTEINURIA DUE TO GLOMERULONEPHRITIS AND PREVENTING AGGRAVATION OF NEPHRITIS | JAPAN ENERGY CORPORATION (JP) | 2001-10-30 | — | — | US | disclosed |
| EP-0999211-A1 | NOVEL PURINE DERIVATIVES AND MEDICINAL USE THEREOF | JAPAN ENERGY CORPORATION (JP) | 2000-05-10 | — | — | 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-20090030195-A1 | 1-(2H)-ISOQUINOLONE DERIVATIVE | NQO1, NR5A1, SRD5A1 | MEN1 2133/4885GAA 2468/4885KMT2A 984/4885 |
“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.