Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | AAK1 | Q2M2I8 | 8/20 | 0.35 |
| ▸ | DPP4 | P27487 | 9/20 | 0.34 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.33 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.33 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6110312 | 0.89 | CYP3A4 (0.38) | CYP3A4CYP2D6GPR119CYP4F2CYP4A11 | |
| SCHEMBL6107770 | 0.88 | DPP4 (0.37) | DPP4 | |
| SCHEMBL6107876 | 0.85 | DPP4 (0.43) | DPP4 | |
| SCHEMBL5236547 | 0.84 | CYP3A4 (0.41) | CYP3A4CYP2D6AAK1DPP4 | |
| SCHEMBL6108096 | 0.84 | DPP4 (0.49) | DPP4 | |
| SCHEMBL5236557 | 0.83 | CYP3A4 (0.42) | CYP3A4CYP2D6AAK1DPP4GPR119 | |
| SCHEMBL6109358 | 0.83 | CYP3A4 (0.39) | CYP3A4CYP2D6AAK1DPP4GPR119 | |
| Hydrochloric Acid SCHEMBL5234098 | 0.83 | CYP3A4 (0.45) | CYP3A4CYP2D6AAK1DPP4 | |
| SCHEMBL6107171 | 0.83 | METAP2 (0.42) | CYP2D6DPP4 | |
| SCHEMBL6106220 | 0.83 | DPP4 (0.45) | DPP4 |
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 |
|---|---|---|---|---|---|---|---|
| US-7034039-B2 | Fused heterocyclic compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2006-04-25 | — | — | US | disclosed |