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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | GRM5 | P41594 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.38 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | NMT1 | P30419 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL145899 | 0.89 | KMT2A (0.43) | P2RX7PTGS2KMT2AMEN1HTT | |
| SCHEMBL4143510 | 0.87 | KMT2A (0.41) | P2RX7PTGS2KMT2AMEN1HTT | |
| SCHEMBL15227141 | 0.87 | KMT2A (0.41) | P2RX7PTGS2KMT2AMEN1HTT | |
| SCHEMBL30855342 | 0.87 | KMT2A (0.41) | P2RX7PTGS2KMT2AMEN1HTT | |
| Acetic Acid SCHEMBL19585268 | 0.82 | P2RX7 (0.47) | P2RX7PTGS2BRD4KMT2AMEN1 | |
| SCHEMBL28734979 | 0.80 | MAPK10 (0.51) | PTGS2KMT2AMEN1HTTL3MBTL1 | |
| SCHEMBL14067278 | 0.80 | P2RX7 (0.44) | P2RX7PTGS2BRD4KMT2AMEN1 | |
| SCHEMBL8508286 | 0.78 | GRM5 (0.51) | P2RX7BRD4KMT2AMEN1HTT | |
| SCHEMBL10868031 | 0.77 | HTT (0.44) | KMT2AMEN1HTTGRM5ALDH1A1 | |
| SCHEMBL29581676 | 0.77 | MAPT (0.50) | KMT2AMEN1HTTALDH1A1LMNA |
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-20080064841-A1 | Polymerization Using Ligand-Initiators and Ligand-Terminators | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 2008-03-13 | — | — | US | disclosed |