Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPAST | Q9UBP0 | 1/20 | 0.67 |
| ▸ | PAK4 | O96013 | 8/20 | 0.54 |
| ▸ | PAK1 | Q13153 | 4/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | AURKA | O14965 | 3/20 | 0.43 |
| ▸ | GSK3B | P49841 | 2/20 | 0.43 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.43 |
| ▸ | NTRK1 | P04629 | 3/20 | 0.42 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.41 |
| ▸ | GSK3A | P49840 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22072735 | 0.85 | SPAST (0.67) | SPASTPAK4PAK1HTR2AAURKA | |
| SCHEMBL22072040 | 0.81 | SPAST (0.59) | SPASTPAK4PAK1HTR2AAURKA | |
| SCHEMBL22072736 | 0.81 | SPAST (0.66) | SPASTPAK4PAK1HTR2AAURKA | |
| SCHEMBL22035048 | 0.81 | SPAST (1.00) | SPASTPAK4PAK1HTR2A | |
| SCHEMBL22035049 | 0.81 | SPAST (1.00) | SPASTPAK4PAK1HTR2A | |
| SCHEMBL22072044 | 0.79 | SPAST (0.56) | SPASTPAK4PAK1HTR2AAURKA | |
| SCHEMBL22072081 | 0.78 | SPAST (0.72) | SPASTPAK4PAK1HTR2AAURKA | |
| SCHEMBL22072525 | 0.72 | HRH4 (0.63) | PAK4PAK1HTR2AAURKAGSK3B | |
| SCHEMBL5787049 | 0.71 | ALDH1A1 (0.64) | SPAST | |
| SCHEMBL6329724 | 0.71 | ALDH1A1 (0.64) | SPAST |
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 |