Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNKS2 | Q9H2K2 | 10/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | S100A4 | P26447 | 2/20 | 0.35 |
| ▸ | CDC25B | P30305 | 1/20 | 0.35 |
| ▸ | TGM2 | P21980 | 1/20 | 0.34 |
| ▸ | PADI1 | Q9ULC6 | 1/20 | 0.34 |
| ▸ | PADI3 | Q9ULW8 | 1/20 | 0.34 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.34 |
| ▸ | PADI2 | Q9Y2J8 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | TDP2 | O95551 | 2/20 | 0.31 |
| ▸ | NSD2 | O96028 | 2/20 | 0.31 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.31 |
| ▸ | ABL1 | P00519 | 1/20 | 0.31 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5904469 | 0.78 | TNKS2 (0.36) | TNKS2CDC25BCYP1A2SMN1; SMN2MEN1 | |
| SCHEMBL6163801 | 0.71 | GSK3B (0.31) | TNKS2GSK3B | |
| SCHEMBL5531635 | 0.68 | TNKS2 (0.36) | TNKS2GSK3BCYP1A2CES1MEN1 | |
| SCHEMBL989079 | 0.62 | IDO1 (0.39) | S100A4CDC25BCYP1A2SMN1; SMN2MEN1 | |
| SCHEMBL8854822 | 0.61 | BACE1 (0.37) | CDC25B | |
| SCHEMBL20909640 | 0.61 | GSK3B (0.51) | TNKS2GSK3BS100A4CDC25BCYP1A2 | |
| SCHEMBL7744077 | 0.60 | — | — | |
| SCHEMBL2643485 | 0.60 | GAA (0.33) | GAA | |
| SCHEMBL20034224 | 0.59 | NOTUM (0.33) | CDC25BTDP2PAX8MEN1KMT2A | |
| SCHEMBL20067380 | 0.59 | BRD4 (0.31) | — |
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-2414360-A1 | SUBSTITUTED DIPYRIDO-PYRIMIDO-DIAZEPINE AND BENZO-PYRIDO-PYRIMIDO COMPOUNDS | ArQule, Inc. (US) | 2012-02-08 | — | — | EP | disclosed |
| WO-2010114898-A1 | SUBSTITUTED DIPYRIDO-PYRIMIDO-DIAZEPINE AND BENZO-PYRIDO-PYRIMIDO COMPOUNDS | ARQULE, INC. (US) | 2010-10-07 | — | — | WO | disclosed |