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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | KDM5A | P29375 | 2/20 | 0.53 |
| ▸ | KDM3A | Q9Y4C1 | 2/20 | 0.53 |
| ▸ | KDM6B | O15054 | 1/20 | 0.53 |
| ▸ | TET3 | O43151 | 1/20 | 0.53 |
| ▸ | KDM4A | O75164 | 1/20 | 0.53 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.53 |
| ▸ | KDM5C | P41229 | 1/20 | 0.53 |
| ▸ | ASPH | Q12797 | 1/20 | 0.53 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.53 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.53 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.53 |
| ▸ | KDM7A | Q6ZMT4 | 1/20 | 0.53 |
| ▸ | KDM8 | Q8N371 | 1/20 | 0.53 |
| ▸ | TET1 | Q8NFU7 | 1/20 | 0.53 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.53 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.53 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL29951101 | 0.90 | KDM4E (0.63) | KDM4EALDH1A1MAPTKDM5AKDM3A | |
| SCHEMBL65841 | 0.90 | KDM4E (0.63) | KDM4EALDH1A1MAPTKDM5AKDM3A | |
| SCHEMBL593577 | 0.88 | KDM4E (0.61) | KDM4EALDH1A1MAPTKDM5AKDM3A | |
| Water SCHEMBL961425 | 0.88 | KDM4E (0.61) | KDM4EALDH1A1MAPTKDM5AKDM3A | |
| SCHEMBL596161 | 0.88 | KDM4E (0.61) | KDM4EALDH1A1MAPTKDM5AKDM3A | |
| Bromide SCHEMBL9518799 | 0.88 | KDM4E (0.61) | KDM4EALDH1A1MAPTKDM5AKDM3A | |
| SCHEMBL27267433 | 0.82 | ALDH1A1 (0.44) | KDM4EALDH1A1MAPTKDM5AKDM3A | |
| SCHEMBL2362971 | 0.80 | KDM4E (0.52) | KDM4EALDH1A1MAPTKDM5AKDM3A | |
| SCHEMBL31680913 | 0.79 | HSP90AB1 (0.47) | KDM4EALDH1A1MAPTKDM5AKDM3A | |
| 2-Picolinic Acid SCHEMBL593726 | 0.79 | LMNA (0.69) | KDM4EALDH1A1MAPTKDM5AKDM3A |
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 |
|---|---|---|---|---|---|---|---|
| CN-115850349-A | Metal complex catalyst and application thereof in preparation of 1,2, 3-pentamethyl indane | 山东新和成药业有限公司 | 2023-03-28 | — | — | CN | disclosed |