Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 16/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | BUB1 | O43683 | 2/20 | 0.41 |
| ▸ | ACVR1B | P36896 | 1/20 | 0.40 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.40 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 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 | |
|---|---|---|---|---|
| SCHEMBL2598462 | 0.94 | TGFBR1 (0.50) | TGFBR1CYP3A4BUB1ACVR1BACVRL1 | |
| SCHEMBL2598347 | 0.85 | TGFBR1 (0.68) | TGFBR1CYP3A4ACVR1BACVRL1ACVR1 | |
| SCHEMBL2596811 | 0.83 | TGFBR1 (0.51) | TGFBR1CYP3A4BUB1P2RX7CYP2C8 | |
| SCHEMBL2598293 | 0.79 | TGFBR1 (0.69) | TGFBR1CYP3A4ACVR1BACVRL1ACVR1 | |
| SCHEMBL2596813 | 0.77 | TGFBR1 (0.51) | TGFBR1CYP3A4BUB1ACVR1BACVRL1 | |
| SCHEMBL2598349 | 0.76 | TGFBR1 (0.57) | TGFBR1CYP3A4ACVR1BACVRL1ACVR1 | |
| SCHEMBL2598495 | 0.76 | TGFBR1 (0.69) | TGFBR1CYP3A4CYP2C8 | |
| SCHEMBL2598369 | 0.76 | TGFBR1 (0.51) | TGFBR1CYP3A4ACVR1BACVRL1ACVR1 | |
| SCHEMBL12185545 | 0.75 | TGFBR1 (0.73) | TGFBR1CYP3A4ACVR1B | |
| SCHEMBL2598333 | 0.75 | TGFBR1 (0.62) | TGFBR1CYP3A4ACVR1BACVRL1ACVR1 |
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-2011146287-A1 | PYRAZOLO[4,3-B]PYRIDINE-7-AMINE INHIBITORS OF ALK5 | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-11-24 | — | — | WO | disclosed |