Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 11/20 | 0.37 |
| ▸ | F11 | P03951 | 1/20 | 0.33 |
| ▸ | GALR3 | O60755 | 1/20 | 0.32 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.32 |
| ▸ | LATS1 | O95835 | 1/20 | 0.32 |
| ▸ | AKT1 | P31749 | 1/20 | 0.31 |
| ▸ | AKT2 | P31751 | 1/20 | 0.31 |
| ▸ | CCR3 | P51677 | 1/20 | 0.30 |
| ▸ | CDC7 | O00311 | 1/20 | 0.30 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.30 |
| ▸ | PIM1 | P11309 | 1/20 | 0.30 |
| ▸ | PRKACA | P17612 | 1/20 | 0.30 |
| ▸ | CDK2 | P24941 | 1/20 | 0.30 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.30 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.30 |
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 | 0.91 | KDM4E (0.42) | KDM4EALDH1A1NPC1RAB9ACXCR5 | |
| SCHEMBL3662202 | 0.83 | KDM4E (0.45) | KDM4EALDH1A1NPC1RAB9ACXCR5 | |
| SCHEMBL3399648 | 0.79 | KDM4E (0.43) | KDM4EALDH1A1NPC1RAB9ACXCR5 | |
| SCHEMBL3661594 | 0.78 | GSK3B (0.40) | GSK3B | |
| SCHEMBL3662618 | 0.76 | ALDH1A1 (0.44) | ALDH1A1GSK3B | |
| SCHEMBL3661663 | 0.73 | GSK3B (0.42) | GSK3B | |
| SCHEMBL3655065 | 0.73 | GSK3B (0.42) | ALDH1A1NPC1RAB9AGSK3BLATS1 | |
| SCHEMBL3663404 | 0.73 | GSK3B (0.41) | GSK3B | |
| SCHEMBL3663942 | 0.73 | KCNMA1 (0.44) | ALDH1A1GSK3B | |
| SCHEMBL3658243 | 0.73 | GSK3B (0.40) | NPC1RAB9AGSK3B |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2238140-A2 | SUBSTITUTED HETEROARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES | Sanofi-Aventis (FR) | 2010-10-13 | — | — | EP | claimed |
| WO-2009095792-A2 | SUBSTITUTED HETEROARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES | SANOFI-AVENTIS (FR) | 2009-08-06 | — | — | WO | claimed |
| EP-2238140-A2 | SUBSTITUTED HETEROARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES | Sanofi-Aventis (FR) | 2010-10-13 | — | — | EP | disclosed |
| WO-2009095792-A2 | SUBSTITUTED HETEROARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES | SANOFI-AVENTIS (FR) | 2009-08-06 | — | — | WO | disclosed |