Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.43 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.42 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2434934 | 0.83 | ESR1 (0.60) | AKR1B1MAOAADRA1AKDM4ENPC1 | |
| SCHEMBL2434007 | 0.78 | NPC1 (0.44) | AKR1B1KDM4ENPC1RAB9AGPR55 | |
| SCHEMBL2429608 | 0.78 | ITGB1 (0.55) | AKR1B1KDM4ENPC1RAB9AGPR55 | |
| SCHEMBL27578581 | 0.77 | CD74 (0.50) | KDM4ENPC1RAB9AGPR55L3MBTL1 | |
| SCHEMBL11178446 | 0.75 | MAOA (0.55) | MAOAADRA1AKDM4ENPC1RAB9A | |
| SCHEMBL2433361 | 0.75 | ITGB1 (0.47) | AKR1B1MAOAADRA1AKDM4EAKR1C3 | |
| SCHEMBL28749560 | 0.74 | MAPT (0.48) | KDM4ENPC1RAB9AGPR55L3MBTL1 | |
| SCHEMBL14592405 | 0.74 | ITGB1 (0.52) | KDM4ENPC1RAB9AGPR55L3MBTL1 | |
| SCHEMBL2433464 | 0.74 | KDM4E (0.60) | MAOAADRA1AKDM4ENPC1RAB9A | |
| SCHEMBL28061939 | 0.74 | NPC1 (0.56) | KDM4ENPC1RAB9AGPR55L3MBTL1 |
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 |