Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 9/20 | 0.58 |
| ▸ | MAPK14 | Q16539 | 6/20 | 0.58 |
| ▸ | TGFBR1 | P36897 | 18/20 | 0.57 |
| ▸ | TGFBR2 | P37173 | 4/20 | 0.47 |
| ▸ | MAP3K20 | Q9NYL2 | 3/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | GAK | O14976 | 1/20 | 0.44 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.44 |
| ▸ | ACVR1B | P36896 | 1/20 | 0.44 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.44 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.44 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.44 |
| ▸ | TGFB2 | P61812 | 1/20 | 0.44 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.44 |
| ▸ | COQ8A | Q8NI60 | 1/20 | 0.44 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.44 |
| ▸ | RIPK3 | Q9Y572 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3949903 | 0.88 | TGFBR1 (0.62) | THRBMAPK14TGFBR1TGFBR2MAP3K20 | |
| SCHEMBL28938616 | 0.79 | TGFBR1 (0.70) | THRBMAPK14TGFBR1TGFBR2MAP3K20 | |
| SCHEMBL22561233 | 0.79 | TGFBR1 (0.68) | THRBMAPK14TGFBR1TGFBR2MAP3K20 | |
| SCHEMBL3945862 | 0.76 | TGFBR1 (0.65) | THRBMAPK14TGFBR1TGFBR2MAP3K20 | |
| SCHEMBL19732288 | 0.76 | TGFBR1 (0.65) | THRBMAPK14TGFBR1TGFBR2MAP3K20 | |
| SCHEMBL3944343 | 0.75 | TGFBR1 (0.61) | THRBMAPK14TGFBR1TGFBR2MAP3K20 | |
| SCHEMBL412656 | 0.74 | THRB (1.00) | THRBMAPK14TGFBR1TGFBR2MAP3K20 | |
| SCHEMBL5233308 | 0.73 | TGFBR1 (1.00) | THRBMAPK14TGFBR1TGFBR2MAP3K20 | |
| SCHEMBL5236967 | 0.73 | TGFBR1 (0.55) | THRBMAPK14TGFBR1TGFBR2MAP3K20 | |
| SCHEMBL413111 | 0.72 | TGFBR1 (1.00) | THRBMAPK14TGFBR1TGFBR2MAP3K20 |
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 |