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 | |
|---|---|---|---|---|
| ▸ | CHRM5 | P08912 | 1/20 | 0.76 |
| ▸ | CHKA | P35790 | 1/20 | 0.76 |
| ▸ | MAPT | P10636 | 6/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | CASP1 | P29466 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | HBB | P68871 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | MPO | P05164 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| Ethylene Glycol SCHEMBL28441707 | 0.91 | CHKA (0.76) | CHRM5CHKAMAPTSMN1; SMN2ALOX15 | |
| SCHEMBL8664726 | 0.87 | CHRM5 (1.00) | CHRM5CHKAMAPTSMN1; SMN2ALOX15 | |
| SCHEMBL189 | 0.87 | — | — | |
| Butane SCHEMBL29281770 | 0.86 | CHRM5 (0.76) | CHRM5CHKAMAPTSMN1; SMN2ALOX15 | |
| Bromide SCHEMBL393564 | 0.85 | CHRM5 (0.94) | CHRM5CHKAMAPTSMN1; SMN2ALOX15 | |
| SCHEMBL4405649 | 0.85 | CHRM5 (0.94) | CHRM5CHKAMAPTSMN1; SMN2ALOX15 | |
| Bromide SCHEMBL393565 | 0.85 | CHRM5 (0.94) | CHRM5CHKAMAPTSMN1; SMN2ALOX15 | |
| Hydrochloric Acid SCHEMBL9013636 | 0.85 | CHRM5 (0.94) | CHRM5CHKAMAPTSMN1; SMN2ALOX15 | |
| Bromide SCHEMBL1542160 | 0.85 | CHRM5 (0.94) | CHRM5CHKAMAPTSMN1; SMN2ALOX15 | |
| Phosphine SCHEMBL23270013 | 0.85 | CHRM5 (0.94) | CHRM5CHKAMAPTSMN1; SMN2ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023168974-A1 | CHOLIC ACID DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF AS TGR5 ALLOSTERIC AGONIST | 常州大学 | 2023-09-14 | — | — | WO | claimed |
| CN-111053740-B | Paclitaxel oral polymer micelle and preparation method and application thereof | 广西中医药大学 | 2022-02-22 | — | — | CN | claimed |
| CN-111053740-A | Paclitaxel oral polymer micelle and preparation method and application thereof | 广西中医药大学 | 2020-04-24 | — | — | CN | claimed |
| CN-111053740-B | Paclitaxel oral polymer micelle and preparation method and application thereof | 广西中医药大学 | 2022-02-22 | — | — | CN | disclosed |
| CN-112371116-A | Long-life sulfur-containing catalyst for methylcyclohexane and preparation method thereof | 中国天辰工程有限公司 | 2021-02-19 | — | — | CN | disclosed |
| CN-111053740-A | Paclitaxel oral polymer micelle and preparation method and application thereof | 广西中医药大学 | 2020-04-24 | — | — | CN | disclosed |