Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPAST | Q9UBP0 | 1/20 | 0.59 |
| ▸ | PAK4 | O96013 | 2/20 | 0.51 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.48 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.47 |
| ▸ | AURKA | O14965 | 3/20 | 0.43 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.43 |
| ▸ | SRC | P12931 | 1/20 | 0.43 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.43 |
| ▸ | GSK3A | P49840 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.42 |
| ▸ | FLT1 | P17948 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | FLT3 | P36888 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 5/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22072044 | 0.91 | SPAST (0.56) | SPASTPAK4NTRK1PAK1AURKA | |
| SCHEMBL22072526 | 0.81 | SPAST (0.67) | SPASTPAK4NTRK1PAK1AURKA | |
| SCHEMBL22072735 | 0.79 | SPAST (0.67) | SPASTPAK4NTRK1PAK1AURKA | |
| SCHEMBL22072048 | 0.79 | SPAST (0.77) | SPASTPAK4PAK1AURKAAURKB | |
| SCHEMBL22072525 | 0.77 | HRH4 (0.63) | PAK4NTRK1PAK1AURKAAURKB | |
| SCHEMBL22072081 | 0.75 | SPAST (0.72) | SPASTPAK4NTRK1PAK1AURKA | |
| SCHEMBL22072736 | 0.75 | SPAST (0.66) | SPASTPAK4PAK1AURKAAURKB | |
| SCHEMBL22035048 | 0.74 | SPAST (1.00) | SPASTPAK4PAK1HTR2A | |
| SCHEMBL22035049 | 0.74 | SPAST (1.00) | SPASTPAK4PAK1HTR2A | |
| SCHEMBL20352282 | 0.72 | PAK4 (0.60) | PAK4NTRK1PAK1AURKAAURKB |
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-2020118183-A1 | 2,4-DIAMINOPYRIMIDINE BICYCLES FOR TREATING CANCER | KAPOOR TARUN M (US) | 2020-06-11 | — | — | WO | disclosed |