Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 13/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.34 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.34 |
| ▸ | GSK3A | P49840 | 1/20 | 0.34 |
| ▸ | F11 | P03951 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | GALR3 | O60755 | 1/20 | 0.32 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.32 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3663057 | 0.88 | KDM4E (0.42) | KDM4EALDH1A1NPC1RAB9ACXCR5 | |
| SCHEMBL3398498 | 0.81 | GSK3B (0.38) | GSK3BCYP1A2CYP2D6CNR1CNR2 | |
| SCHEMBL3399343 | 0.80 | GSK3B (0.47) | GSK3BCYP1A2CYP2D6CSNK1A1GSK3A | |
| SCHEMBL3403548 | 0.79 | GSK3B (0.34) | GSK3BCYP1A2CYP2D6CNR1CNR2 | |
| SCHEMBL3402173 | 0.79 | GSK3B (0.45) | GSK3BCYP1A2CYP2D6 | |
| SCHEMBL3661770 | 0.79 | KDM4E (0.44) | KDM4EALDH1A1NPC1RAB9ACXCR5 | |
| SCHEMBL3401042 | 0.76 | GSK3B (0.39) | NPC1RAB9AGSK3BCYP1A2CYP2D6 | |
| SCHEMBL3400870 | 0.76 | GSK3B (0.42) | GSK3BCYP1A2CYP2D6 | |
| SCHEMBL3402193 | 0.76 | GSK3B (0.42) | GSK3BCYP1A2CYP2D6 | |
| SCHEMBL3662202 | 0.75 | KDM4E (0.45) | KDM4EALDH1A1NPC1RAB9ACXCR5 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2247598-A1 | SUBSTITUTED HETEROARYLAMIDE OXAZEPINOPYRIMIDONE DERIVATIVES | Sanofi-Aventis (FR) | 2010-11-10 | — | — | EP | disclosed |
| WO-2009095787-A1 | SUBSTITUTED HETEROARYLAMIDE OXAZEPINOPYRIMIDONE DERIVATIVES | SANOFI-AVENTIS (FR) | 2009-08-06 | — | — | WO | disclosed |