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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | MGLL | Q99685 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4399586 | 0.87 | CNR2 (0.52) | CNR2TSHRALDH1A1AOC3LMNA | |
| Alcohol SCHEMBL2794145 | 0.87 | TSHR (0.58) | CNR2TSHRALDH1A1LMNAKDM4E | |
| SCHEMBL134524 | 0.87 | TSHR (0.60) | CNR2TSHRALDH1A1AOC3KDM4E | |
| Hydrochloric Acid SCHEMBL29004387 | 0.85 | CNR2 (0.50) | CNR2TSHRALDH1A1AOC3LMNA | |
| Chloromethane SCHEMBL27571631 | 0.84 | CNR2 (0.59) | CNR2TSHRALDH1A1AOC3LMNA | |
| SCHEMBL7296277 | 0.84 | HRH3 (0.56) | CNR2TSHRALDH1A1LMNAKDM4E | |
| Fluoride SCHEMBL633879 | 0.84 | CNR2 (0.58) | CNR2TSHRALDH1A1AOC3KDM4E | |
| SCHEMBL12049793 | 0.84 | CNR2 (0.64) | CNR2TSHRALDH1A1AOC3KDM4E | |
| Bromide SCHEMBL11212819 | 0.84 | CNR2 (0.58) | CNR2TSHRALDH1A1AOC3KDM4E | |
| Bromide SCHEMBL6760453 | 0.84 | CNR2 (0.58) | CNR2TSHRALDH1A1AOC3KDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210131953-A1 | METHODS AND SYSTEMS FOR RAPID ANALYSIS OF CANNABINOIDS | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION | 2021-05-06 | — | — | US | disclosed |