Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFB1 | P01137 | 1/20 | 0.39 |
| ▸ | GRM5 | P41594 | 3/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19732368 | 0.85 | TGFB1 (0.38) | TGFB1GRM5PDE10A | |
| SCHEMBL29832119 | 0.79 | GRM5 (0.54) | GRM5 | |
| SCHEMBL6100200 | 0.79 | GRM5 (0.54) | GRM5 | |
| SCHEMBL31415319 | 0.74 | MAPK1 (0.38) | TGFB1 | |
| SCHEMBL2525007 | 0.73 | THRB (0.43) | — | |
| SCHEMBL30139872 | 0.72 | THRB (0.45) | GRM5 | |
| SCHEMBL29831821 | 0.70 | GRM5 (0.53) | GRM5 | |
| SCHEMBL29050018 | 0.70 | GRM5 (0.53) | GRM5 | |
| SCHEMBL3071714 | 0.70 | NOS3 (0.55) | — | |
| SCHEMBL2522518 | 0.69 | GRM5 (0.51) | GRM5 |
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-2017215506-A1 | BENZOTRIAZOLE-DERIVED Α AND Β UNSATURATED AMIDE COMPOUND USED AS TGF-ΒR1 INHIBITOR | 南京明德新药研发股份有限公司 | 2017-12-21 | — | — | WO | disclosed |