Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.36 |
| ▸ | ITGB1 | P05556 | 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 | |
|---|---|---|---|---|
| SCHEMBL2432068 | 0.79 | KDM4E (0.44) | NPC1RAB9AKDM4EL3MBTL1GPR55 | |
| SCHEMBL2432940 | 0.78 | AKR1B1 (0.46) | NPC1RAB9AKDM4EL3MBTL1GPR55 | |
| SCHEMBL27578595 | 0.78 | KDM4E (0.44) | NPC1RAB9AKDM4EL3MBTL1GPR55 | |
| SCHEMBL27596539 | 0.78 | KDM4E (0.41) | NPC1RAB9AKDM4EL3MBTL1GPR55 | |
| SCHEMBL14592408 | 0.76 | KDM4E (0.41) | NPC1RAB9AKDM4EL3MBTL1GPR55 | |
| SCHEMBL2434320 | 0.74 | ITGB1 (0.47) | NPC1RAB9AKDM4EALDH1A1MAPT | |
| SCHEMBL2433113 | 0.74 | C1R (0.46) | NPC1RAB9AKDM4EALDH1A1MAPT | |
| SCHEMBL11460390 | 0.73 | AKR1B1 (0.50) | KDM4EALDH1A1MAPTHPGDCYP1A2 | |
| SCHEMBL2437936 | 0.68 | ITGB1 (0.49) | KDM4EALDH1A1ITGB1ITGA4DHODH | |
| SCHEMBL11698320 | 0.67 | KDM4E (0.43) | NPC1RAB9AKDM4EALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1346982-B1 | VLA-4 INHIBITORS | DAIICHI SEIYAKU CO (JP) | 2011-09-14 | — | — | EP | disclosed |