Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 1/20 | 0.54 |
| ▸ | THRB | P10828 | 4/20 | 0.49 |
| ▸ | TGFBR1 | P36897 | 4/20 | 0.49 |
| ▸ | CCR1 | P32246 | 1/20 | 0.48 |
| ▸ | CCR8 | P51685 | 1/20 | 0.48 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL29832119 | 1.00 | GRM5 (0.54) | GRM5THRBTGFBR1CCR1CCR8 | |
| SCHEMBL19732410 | 0.81 | TGFB1 (0.47) | GRM5THRBTGFBR1 | |
| SCHEMBL30139872 | 0.81 | THRB (0.45) | GRM5THRBTGFBR1MAPK14 | |
| SCHEMBL19732370 | 0.79 | TGFB1 (0.39) | GRM5 | |
| SCHEMBL19732368 | 0.77 | TGFB1 (0.38) | GRM5 | |
| SCHEMBL28785444 | 0.74 | GRM5 (0.79) | GRM5 | |
| SCHEMBL2525007 | 0.73 | THRB (0.43) | THRBTGFBR1 | |
| SCHEMBL2928676 | 0.73 | — | — | |
| SCHEMBL2522518 | 0.72 | GRM5 (0.51) | GRM5 | |
| SCHEMBL22561233 | 0.72 | TGFBR1 (0.68) | THRBTGFBR1MAPK14 |
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 2 patents. 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 |
| US-7087626-B2 | Pyrrole derivatives as pharmaceutical agents | ELI LILLY AND COMPANY (US) | 2006-08-08 | — | — | US | disclosed |