Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 14/20 | 0.55 |
| ▸ | AURKB | Q96GD4 | 7/20 | 0.55 |
| ▸ | KIT | P10721 | 7/20 | 0.55 |
| ▸ | AURKA | O14965 | 6/20 | 0.55 |
| ▸ | TEK | Q02763 | 3/20 | 0.55 |
| ▸ | CDK19 | Q9BWU1 | 1/20 | 0.55 |
| ▸ | FLT3 | P36888 | 7/20 | 0.52 |
| ▸ | LCK | P06239 | 5/20 | 0.52 |
| ▸ | LYN | P07948 | 5/20 | 0.52 |
| ▸ | BLK | P51451 | 5/20 | 0.52 |
| ▸ | NTRK1 | P04629 | 4/20 | 0.52 |
| ▸ | NTRK2 | Q16620 | 4/20 | 0.52 |
| ▸ | MARK2 | Q7KZI7 | 4/20 | 0.52 |
| ▸ | CDK1 | P06493 | 3/20 | 0.52 |
| ▸ | MARK3 | P27448 | 3/20 | 0.52 |
| ▸ | RPS6KA3 | P51812 | 3/20 | 0.52 |
| ▸ | STK3 | Q13188 | 3/20 | 0.52 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.52 |
| ▸ | JAK3 | P52333 | 3/20 | 0.52 |
| ▸ | FYN | P06241 | 3/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL5276553 | 0.91 | KDR (0.51) | KDRAURKBKITAURKATEK | |
| SCHEMBL275915 | 0.88 | BTK (0.46) | KDRAURKBKITAURKATEK | |
| SCHEMBL3621547 | 0.88 | KDR (0.54) | KDRAURKBKITAURKATEK | |
| SCHEMBL275916 | 0.87 | KDR (0.57) | KDRAURKBKITAURKATEK | |
| SCHEMBL14420667 | 0.87 | KDR (0.54) | KDRAURKBKITAURKATEK | |
| SCHEMBL3618935 | 0.86 | FLT1 (0.55) | KDRAURKBKITAURKATEK | |
| SCHEMBL27663171 | 0.86 | KDR (0.53) | KDRAURKBKITAURKATEK | |
| SCHEMBL5276476 | 0.86 | RIPK1 (0.52) | KDRAURKBKITAURKAFLT3 | |
| SCHEMBL5276575 | 0.85 | AURKA (0.44) | KDRAURKBKITAURKATEK | |
| SCHEMBL3625505 | 0.85 | RIPK1 (0.53) | KDRAURKBKITAURKATEK |
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-1765823-A1 | PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS | Bayer Pharmaceuticals Corporation (US) | 2007-03-28 | — | — | EP | disclosed |
| WO-2005121147-A1 | PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS | BAYER PHARMACEUTICALS CORPORATION (US) | 2005-12-22 | — | — | WO | disclosed |