Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 11/20 | 0.36 |
| ▸ | GSK3B | P49841 | 3/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.35 |
| ▸ | WNT1 | P04628 | 1/20 | 0.35 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | METAP2 | P50579 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.32 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.32 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.32 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6109355 | 0.89 | CYP3A4 (0.39) | CYP3A4CYP2D6GPR119CYP4F2CYP4A11 | |
| SCHEMBL5237058 | 0.85 | CYP3A4 (0.40) | CYP3A4CYP2D6GPR119GSK3BDYRK1A | |
| SCHEMBL7005908 | 0.84 | CYP3A4 (0.43) | CYP3A4CYP2D6GPR119GSK3BDYRK1A | |
| SCHEMBL5237063 | 0.84 | CYP3A4 (0.40) | CYP3A4CYP2D6GPR119GSK3BDYRK1A | |
| Hydrochloric Acid SCHEMBL5235219 | 0.84 | CYP3A4 (0.43) | CYP3A4CYP2D6GPR119GSK3BDYRK1A | |
| SCHEMBL6109990 | 0.83 | GSK3B (0.35) | GSK3B | |
| SCHEMBL6109713 | 0.83 | MAPK8 (0.42) | GSK3B | |
| SCHEMBL6108298 | 0.82 | PGR (0.37) | GSK3B | |
| SCHEMBL6109025 | 0.81 | GSK3B (0.32) | GSK3B | |
| SCHEMBL6110309 | 0.80 | CYP3A4 (0.37) | CYP3A4CYP2D6GPR119GSK3BDYRK1A |
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 |