Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 4/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.61 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.61 |
| ▸ | PAK4 | O96013 | 3/20 | 0.51 |
| ▸ | PAK1 | Q13153 | 3/20 | 0.51 |
| ▸ | ULK1 | O75385 | 1/20 | 0.48 |
| ▸ | IGF1R | P08069 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL4068008 | 0.91 | NTRK1 (0.61) | NTRK1PAK4PAK1 | |
| SCHEMBL4070230 | 0.88 | NTRK1 (0.63) | NTRK1PAK4PAK1 | |
| SCHEMBL29618398 | 0.85 | ULK1 (0.65) | NTRK1NTRK3NTRK2PAK4PAK1 | |
| SCHEMBL786513 | 0.85 | ULK1 (0.65) | NTRK1NTRK3NTRK2PAK4PAK1 | |
| SCHEMBL4069145 | 0.81 | PAK4 (0.69) | NTRK1PAK4PAK1 | |
| SCHEMBL4068978 | 0.79 | PAK4 (0.59) | PAK4PAK1IGF1R | |
| SCHEMBL4073719 | 0.79 | PAK4 (0.48) | NTRK1PAK4PAK1ULK1IGF1R | |
| SCHEMBL30482706 | 0.79 | NTRK1 (0.76) | NTRK1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL14606170 | 0.77 | IGF1R (0.45) | NTRK1PAK4PAK1IGF1R | |
| SCHEMBL4073145 | 0.77 | IGF1R (0.54) | NTRK1IGF1R |
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-1686999-B1 | PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES | ASTRAZENECA AB (SE) | 2009-07-01 | — | — | EP | disclosed |
| CN-1905884-A | Pyrazole derivatives as inhibitors of receptor tyrosyne kinases | ASTRAZENECA AB (SE) | 2007-01-31 | — | — | CN | disclosed |