Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY12 | Q9H244 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 2/20 | 0.35 |
| ▸ | CDC7 | O00311 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.35 |
| ▸ | MAP3K5 | Q99683 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | WNT1 | P04628 | 1/20 | 0.34 |
| ▸ | CLK2 | P49760 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3663855 | 0.85 | USP30 (0.42) | P2RY12ALDH1A1GAAMAP3K5 | |
| SCHEMBL3663708 | 0.80 | P2RY12 (0.44) | P2RY12ALDH1A1GSK3BCDC7ROCK2 | |
| SCHEMBL3657923 | 0.78 | NOS1 (0.44) | P2RY12ALDH1A1GSK3BKDM4EMAPT | |
| SCHEMBL3667749 | 0.77 | HPGD (0.40) | P2RY12ALDH1A1GAAGSK3BCDC7 | |
| SCHEMBL3659187 | 0.76 | P2RY12 (0.41) | P2RY12ALDH1A1ALOX15GSK3BCDC7 | |
| SCHEMBL3664429 | 0.76 | GSK3B (0.43) | P2RY12ALDH1A1GSK3BCDC7ROCK2 | |
| SCHEMBL3660413 | 0.76 | KCNMA1 (0.41) | P2RY12ALDH1A1GSK3BCDC7ROCK2 | |
| SCHEMBL1168937 | 0.75 | GSK3B (0.46) | P2RY12ALDH1A1GAAGSK3BNPC1 | |
| SCHEMBL915676 | 0.74 | GSK3B (0.44) | P2RY12ALDH1A1GSK3BCDC7ROCK2 | |
| SCHEMBL15158304 | 0.73 | MEN1 (0.41) | P2RY12ALDH1A1GSK3BCDC7ROCK2 |
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-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 |