Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNB2 | O95067 | 4/20 | 0.44 |
| ▸ | CDK1 | P06493 | 4/20 | 0.44 |
| ▸ | CCNB1 | P14635 | 4/20 | 0.44 |
| ▸ | GSK3B | P49841 | 4/20 | 0.44 |
| ▸ | CDK5 | Q00535 | 4/20 | 0.44 |
| ▸ | CDK5R1 | Q15078 | 4/20 | 0.44 |
| ▸ | CCNB3 | Q8WWL7 | 4/20 | 0.44 |
| ▸ | GSK3A | P49840 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CBFB | Q13951 | 1/20 | 0.43 |
| ▸ | PDE5A | O76074 | 2/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7016833 | 0.87 | CCNB2 (0.42) | CCNB2CDK1CCNB1GSK3BCDK5 | |
| SCHEMBL7009747 | 0.86 | CCNB2 (0.63) | CCNB2CDK1CCNB1GSK3BCDK5 | |
| SCHEMBL7100815 | 0.82 | RIPK1 (0.42) | CCNB2CDK1CCNB1CCNB3SMN1; SMN2 | |
| SCHEMBL7101268 | 0.81 | RIPK1 (0.43) | CCNB2CDK1CCNB1CCNB3SMN1; SMN2 | |
| SCHEMBL7017680 | 0.81 | RIPK1 (0.43) | CCNB2CDK1CCNB1CCNB3SMN1; SMN2 | |
| SCHEMBL6287778 | 0.80 | RIPK1 (0.43) | CCNB2CDK1CCNB1GSK3BCDK5 | |
| SCHEMBL5945897 | 0.79 | ERN1 (0.49) | SMN1; SMN2ALDH1A1TP53HSD17B10CYP2D6 | |
| SCHEMBL7014990 | 0.76 | RIPK1 (0.48) | CCNB2CDK1CCNB1GSK3BCDK5 | |
| SCHEMBL7096737 | 0.76 | NPY5R (0.45) | CCNB2CDK1CCNB1GSK3BCDK5 | |
| SCHEMBL6287771 | 0.75 | PARP1 (0.47) | ALDH1A1RIPK1NPY5R |
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-1294718-A2 | 6,5-FUSED BICYCLIC HETEROCYCLES | WARNER-LAMBERT COMPANY LLC (US) | 2003-03-26 | — | — | EP | claimed |
| WO-2001096336-A2 | 6,5-FUSED BICYCLIC HETEROCYCLES | WARNER-LAMBERT COMPANY (US) | 2001-12-20 | — | — | WO | claimed |