Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 15/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CTSD | P07339 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3579597 | 0.88 | GSK3B (0.43) | CYP3A4GSK3BMAPTCYP2D6CYP1A2 | |
| SCHEMBL3564980 | 0.86 | GSK3B (0.45) | CYP3A4GSK3BCYP2D6CYP1A2 | |
| SCHEMBL3567737 | 0.85 | GSK3B (0.40) | CYP3A4GSK3BCYP2D6CYP1A2 | |
| SCHEMBL3565279 | 0.84 | GSK3B (0.39) | CYP3A4GSK3BCYP2D6CYP1A2 | |
| SCHEMBL3565275 | 0.84 | GSK3B (0.39) | CYP3A4GSK3BCYP2D6CYP1A2 | |
| SCHEMBL3565795 | 0.82 | GSK3B (0.40) | CYP3A4GSK3BCYP2D6 | |
| SCHEMBL3567458 | 0.81 | GSK3B (0.43) | GSK3BCYP2D6CYP1A2 | |
| SCHEMBL3570867 | 0.80 | GSK3B (0.39) | GSK3BCYP2D6 | |
| SCHEMBL3575939 | 0.80 | GSK3B (0.42) | GSK3BCYP2D6CYP1A2 | |
| SCHEMBL3572719 | 0.80 | GSK3B (0.42) | GSK3BCYP2D6CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7781440-B2 | Use of substituted 2-pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-a] pyrimidin-4-one and 7-pyrimidinyl-2,3-dihydroimidazo[1,2-a] pyrimidin-5(1H)one derivatives | SANOFI-AVENTIS (FR) | 2010-08-24 | — | — | US | claimed |