Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.51 |
| ▸ | ABCB1 | P08183 | 6/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | NQO1 | P15559 | 2/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.44 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.43 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL746910 | 0.91 | ABCG2 (0.54) | ABCG2ABCB1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL13075666 | 0.91 | ABCB1 (0.49) | ABCG2ABCB1MAOBMAPTNPSR1 | |
| SCHEMBL13075863 | 0.89 | ABCB1 (0.42) | ABCG2ABCB1MAPTNPSR1 | |
| SCHEMBL7028079 | 0.88 | ABCG2 (0.51) | ABCG2ABCB1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL13075834 | 0.88 | NFKB1 (0.47) | ABCG2ABCB1MAOBKCNA3MAPT | |
| SCHEMBL13075657 | 0.85 | ABCG2 (0.53) | ABCG2ABCB1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL13075649 | 0.84 | ABCG2 (0.50) | ABCG2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3704218 | 0.83 | ABCB1 (0.51) | ABCG2ABCB1MAPTNPSR1 | |
| SCHEMBL747096 | 0.82 | MAPT (0.59) | ABCB1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL747095 | 0.82 | MAPT (0.59) | ABCB1CYP1A2CYP3A4CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010129858-A1 | COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR THE TREATMENT OF CANCER | GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION (US) | 2010-11-11 | — | — | WO | disclosed |