Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | PDE5A | O76074 | 1/20 | 0.37 |
| ▸ | PDE9A | O76083 | 2/20 | 0.36 |
| ▸ | CCNE2 | O96020 | 3/20 | 0.36 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.36 |
| ▸ | CDK2 | P24941 | 3/20 | 0.36 |
| ▸ | CDK4 | P11802 | 2/20 | 0.36 |
| ▸ | CCND1 | P24385 | 2/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | IDH1 | O75874 | 1/20 | 0.35 |
| ▸ | SYK | P43405 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5548550 | 0.89 | NTRK1 (0.39) | CYP2C9PDE5ACCNE2CCNE1CDK2 | |
| SCHEMBL5548901 | 0.87 | SLC6A4 (0.38) | CYP3A4CYP2C9MAPK10PDE5AMEN1 | |
| SCHEMBL5548540 | 0.84 | PDE5A (0.32) | PDE5AMAPTKDM4E | |
| SCHEMBL5545476 | 0.81 | ADORA1 (0.39) | PDE5A | |
| SCHEMBL3522851 | 0.79 | CXCR2 (0.35) | SYK | |
| SCHEMBL5548590 | 0.77 | CYP1A2 (0.34) | CYP2C9SMN1; SMN2HTTMEN1KMT2A | |
| SCHEMBL5548896 | 0.76 | GRK6 (0.34) | CCNE1CDK2IDH1LDHALDHB | |
| SCHEMBL5545556 | 0.75 | GSK3A (0.48) | — | |
| SCHEMBL5548893 | 0.74 | GSK3A (0.49) | CYP3A4SMN1; SMN2HTTKMT2A | |
| SCHEMBL5545590 | 0.74 | GSK3B (0.35) | — |
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-1678180-B1 | SUBSTITUTED 2H-[1,2,4]TRIAZOLO 4,3-A PYRAZINES AS GSK-3 INHIBITORS | PFIZER PROD INC (US) | 2007-08-08 | — | — | EP | disclosed |