Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Alcohol. 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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | TTR | P02766 | 1/20 | 0.50 |
| ▸ | F2 | P00734 | 3/20 | 0.49 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.49 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.49 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.49 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | SCN1A | P35498 | 2/20 | 0.45 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.45 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL3752407 | 0.98 | CA1 (0.52) | CA1CA2CA9TTRF2 | |
| SCHEMBL28082424 | 0.91 | CA1 (0.52) | CA1CA2CA9TTRF2 | |
| Methyl Alcohol SCHEMBL28292348 | 0.90 | CA1 (0.59) | CA1CA2CA9TTRF2 | |
| SCHEMBL30304762 | 0.90 | CA1 (0.63) | CA1CA2CA9TTRF2 | |
| SCHEMBL27719293 | 0.90 | CA1 (0.63) | CA1CA2CA9TTRF2 | |
| SCHEMBL4323 | 0.90 | CA1 (0.63) | CA1CA2CA9TTRF2 | |
| SCHEMBL29358913 | 0.90 | CA1 (0.63) | CA1CA2CA9TTRF2 | |
| SCHEMBL27407101 | 0.89 | CA1 (0.57) | CA1CA2CA9TTRF2 | |
| SCHEMBL3841902 | 0.89 | CA1 (0.57) | CA1CA2CA9TTRF2 | |
| SCHEMBL28045174 | 0.89 | CA1 (0.57) | CA1CA2CA9TTRF2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113227101-A | Salt or crystal form containing tricyclic derivative and pharmaceutical composition thereof | 上海翰森生物医药科技有限公司 | 2021-08-06 | — | — | CN | disclosed |
| US-8957087-B2 | Heterocyclic substituted acardite derivate and application thereof | Jiangsu Provincial Institute of Materia Medica Co., Ltd. (CN) | 2015-02-17 | — | — | US | disclosed |
| EP-2428506-B1 | HETEROCYCLIC SUBSTITUTED ACARDITE DERIVATES AND USE THEREOF | NANJING LUYESIKE PHARMACEUTICAL CO LTD (CN) | 2014-03-05 | — | — | EP | disclosed |
| EP-2428506-A1 | HETEROCYCLIC SUBSTITUTED ACARDITE DERIVATES AND USE THEREOF | Jiangsu Provincial Institute Of Materia Medica Co. (CN) | 2012-03-14 | — | — | EP | disclosed |
| US-20120053192-A1 | Heterocyclic Substituted Acardite Derivate and Application Thereof | NANJING LUYESIKE PHARMACEUTICAL CO., LTD. (CN) | 2012-03-01 | — | — | US | 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-20120053192-A1 | Heterocyclic Substituted Acardite Derivate and Application Thereof | H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IDH1, CA7 | CA1 178/4885CA2 107/4885CA9 41/4885 |
“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.