Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRK6 | P43250 | 9/20 | 0.80 |
| ▸ | AURKA | O14965 | 4/20 | 0.80 |
| ▸ | NTRK1 | P04629 | 5/20 | 0.69 |
| ▸ | JAK2 | O60674 | 3/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.67 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.67 |
| ▸ | JAK1 | P23458 | 3/20 | 0.67 |
| ▸ | TYK2 | P29597 | 3/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.67 |
| ▸ | JAK3 | P52333 | 3/20 | 0.67 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.67 |
| ▸ | SRC | P12931 | 1/20 | 0.64 |
| ▸ | GSK3B | P49841 | 1/20 | 0.64 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.62 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.62 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL256446 | 0.83 | JAK2 (0.79) | GRK6AURKANTRK1JAK2CYP3A4 | |
| SCHEMBL12430662 | 0.82 | NTRK1 (1.00) | GRK6AURKANTRK1NTRK3NTRK2 | |
| Ac-430 SCHEMBL29522676 | 0.80 | JAK2 (1.00) | AURKANTRK1JAK2CYP3A4CYP2C8 | |
| Ac-430 SCHEMBL256569 | 0.80 | JAK2 (1.00) | AURKANTRK1JAK2CYP3A4CYP2C8 | |
| Ac-430 SCHEMBL29578828 | 0.80 | JAK2 (1.00) | AURKANTRK1JAK2CYP3A4CYP2C8 | |
| SCHEMBL174600 | 0.80 | JAK2 (0.77) | AURKANTRK1JAK2CYP3A4CYP2C8 | |
| SCHEMBL4069171 | 0.80 | AURKA (0.65) | AURKANTRK1JAK2CYP3A4CYP2C8 | |
| Ac-430 SCHEMBL164912 | 0.80 | JAK2 (1.00) | AURKANTRK1JAK2CYP3A4CYP2C8 | |
| Ac-430 SCHEMBL173827 | 0.80 | JAK2 (1.00) | AURKANTRK1JAK2CYP3A4CYP2C8 | |
| SCHEMBL173607 | 0.80 | JAK2 (0.77) | AURKANTRK1JAK2CYP3A4CYP2C8 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1686999-B1 | PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES | ASTRAZENECA AB (SE) | 2009-07-01 | — | — | EP | disclosed |