Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY12 | Q9H244 | 7/20 | 0.44 |
| ▸ | GSK3B | P49841 | 5/20 | 0.43 |
| ▸ | CDC7 | O00311 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.43 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.43 |
| ▸ | HRH2 | P25021 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL915676 | 0.86 | GSK3B (0.44) | P2RY12GSK3BCDC7ROCK2PIM1 | |
| SCHEMBL15158304 | 0.84 | MEN1 (0.41) | P2RY12GSK3BCDC7ROCK2PIM1 | |
| SCHEMBL3657923 | 0.83 | NOS1 (0.44) | P2RY12GSK3BHRH2HRH1MAPT | |
| SCHEMBL3667749 | 0.82 | HPGD (0.40) | P2RY12GSK3BCDC7ROCK2PIM1 | |
| SCHEMBL3659187 | 0.81 | P2RY12 (0.41) | P2RY12GSK3BCDC7ROCK2PIM1 | |
| SCHEMBL3660413 | 0.81 | KCNMA1 (0.41) | P2RY12GSK3BCDC7ROCK2PIM1 | |
| SCHEMBL3664429 | 0.81 | GSK3B (0.43) | P2RY12GSK3BCDC7ROCK2PIM1 | |
| SCHEMBL3664954 | 0.80 | GSK3B (0.37) | P2RY12GSK3BCDC7ROCK2PIM1 | |
| SCHEMBL3658002 | 0.80 | P2RY12 (0.38) | P2RY12GSK3BCDC7ROCK2PIM1 | |
| SCHEMBL3663855 | 0.78 | USP30 (0.42) | P2RY12ALDH1A1 |
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-2238141-A1 | SUBSTITUTED ARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CAUSED BY ABNORMAL ACTIVITY OF GSK3-BETA | Sanofi-Aventis (FR) | 2010-10-13 | — | — | EP | disclosed |
| WO-2009095789-A1 | SUBSTITUTED ARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CAUSED BY ABNORMAL ACTIVITY OF GSK3-BETA | SANOFI-AVENTIS (FR) | 2009-08-06 | — | — | WO | disclosed |