Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 1/20 | 0.57 |
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | CA9 | Q16790 | 1/20 | 0.51 |
| ▸ | THRB | P10828 | 4/20 | 0.50 |
| ▸ | THRA | P10827 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | CNR2 | P34972 | 1/20 | 0.49 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ALB | P02768 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| Dymanthine SCHEMBL9193253 | 1.00 | MCHR1 (0.57) | MCHR1CA12CA2CA9THRB | |
| SCHEMBL9194045 | 1.00 | MCHR1 (0.57) | MCHR1CA12CA2CA9THRB | |
| SCHEMBL5135589 | 1.00 | MCHR1 (0.57) | MCHR1CA12CA2CA9THRB | |
| SCHEMBL10586091 | 1.00 | MCHR1 (0.57) | MCHR1CA12CA2CA9THRB | |
| SCHEMBL28402844 | 0.98 | MCHR1 (0.55) | MCHR1CA12CA2CA9THRB | |
| SCHEMBL11057295 | 0.91 | MCHR1 (0.57) | MCHR1CA12CA2CA9THRB | |
| SCHEMBL27761358 | 0.91 | MCHR1 (0.57) | MCHR1CA12CA2CA9THRB | |
| SCHEMBL11058775 | 0.91 | MCHR1 (0.57) | MCHR1CA12CA2CA9THRB | |
| SCHEMBL30395774 | 0.90 | CA2 (0.56) | MCHR1CA12CA2CA9THRB | |
| SCHEMBL593014 | 0.89 | MCHR1 (0.68) | MCHR1CA12CA2THRBTHRA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116549703-A | Antibacterial hydrophobic dressing and preparation method and application thereof | 上海市口腔医院(上海市口腔健康中心) | 2023-08-08 | — | — | CN | claimed |
| CN-116549703-A | Antibacterial hydrophobic dressing and preparation method and application thereof | 上海市口腔医院(上海市口腔健康中心) | 2023-08-08 | — | — | CN | disclosed |
| US-9533934-B2 | Hydrolysis of an ester compound | RHODIA OPERATIONS (FR) | 2017-01-03 | — | — | US | disclosed |
| US-20160297734-A1 | HYDROLYSIS OF AN ESTER COMPOUND | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2016-10-13 | — | — | US | disclosed |
| EP-2984062-A1 | HYDROLYSIS OF AN ESTER COMPOUND | Rhodia Operations (FR) | 2016-02-17 | — | — | EP | disclosed |
| WO-2014166421-A1 | HYDROLYSIS OF AN ESTER COMPOUND | RHODIA OPERATIONS (FR) | 2014-10-16 | — | — | 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-20160297734-A1 | HYDROLYSIS OF AN ESTER COMPOUND | LIPC, CEL, ADH1C | MCHR1 3987/4885CA12 395/4885CA2 1791/4885 |
“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.