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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 SCHEMBL7785068 | 0.96 | TSHR (0.46) | TSHRALDH1A1NPSR1THRBBLM | |
| Alcohol SCHEMBL27893216 | 0.96 | TSHR (0.46) | TSHRALDH1A1NPSR1THRBBLM | |
| SCHEMBL192838 | 0.84 | — | — | |
| SCHEMBL10714394 | 0.84 | NPSR1 (0.53) | TSHRALDH1A1NPSR1THRBBLM | |
| SCHEMBL9749531 | 0.84 | — | — | |
| SCHEMBL192839 | 0.84 | — | — | |
| SCHEMBL13740286 | 0.84 | NPSR1 (0.53) | TSHRALDH1A1NPSR1THRBBLM | |
| Water SCHEMBL28395353 | 0.81 | NPSR1 (0.50) | TSHRALDH1A1NPSR1THRBBLM | |
| SCHEMBL97805 | 0.80 | — | — | |
| SCHEMBL97807 | 0.80 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111957298-A | Preparation method and adsorption application of heteropoly acid-nickel dimethylglyoxime composite material | 旌德君创科技发展有限公司 | 2020-11-20 | — | — | CN | claimed |
| CN-111957298-A | Preparation method and adsorption application of heteropoly acid-nickel dimethylglyoxime composite material | 旌德君创科技发展有限公司 | 2020-11-20 | — | — | CN | disclosed |