Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 18/20 | 0.62 |
| ▸ | MAP1LC3B | Q9GZQ8 | 2/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.62 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.62 |
| ▸ | KIF23 | Q02241 | 1/20 | 0.61 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL4054103 | 1.00 | KIF11 (0.62) | KIF11MAP1LC3BCYP3A4CYP2C19KCNH2 | |
| Hydrochloric Acid SCHEMBL4055318 | 0.99 | KIF11 (0.62) | KIF11MAP1LC3BCYP3A4CYP2C19KCNH2 | |
| SCHEMBL4049201 | 0.92 | KIF11 (0.62) | KIF11MAP1LC3BCYP3A4CYP2C19KCNH2 | |
| Hydrochloric Acid SCHEMBL4049488 | 0.91 | KIF11 (0.61) | KIF11MAP1LC3BCYP3A4CYP2C19KCNH2 | |
| SCHEMBL4359320 | 0.87 | KIF11 (0.68) | KIF11MAP1LC3BCYP3A4CYP2C19KCNH2 | |
| SCHEMBL4048916 | 0.87 | KIF11 (0.54) | KIF11MAP1LC3BCYP3A4CYP2C19KCNH2 | |
| SCHEMBL4049420 | 0.86 | KIF11 (0.64) | KIF11MAP1LC3BCYP3A4CYP2C19KCNH2 | |
| SCHEMBL4049418 | 0.86 | KIF11 (0.64) | KIF11MAP1LC3BCYP3A4CYP2C19KCNH2 | |
| Hydrochloric Acid SCHEMBL4048546 | 0.85 | KIF11 (0.63) | KIF11MAP1LC3BCYP3A4CYP2C19KCNH2 | |
| Hydrochloric Acid SCHEMBL4050650 | 0.85 | KIF11 (0.63) | KIF11MAP1LC3BCYP3A4CYP2C19KCNH2 |
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-2070932-A1 | Pyrazolotriazines | 4SC AG (DE) | 2009-06-17 | — | — | EP | claimed |