Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 3/20 | 0.36 |
| ▸ | TGFBR2 | P37173 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.32 |
| ▸ | CDK8 | P49336 | 2/20 | 0.32 |
| ▸ | PDK1 | Q15118 | 3/20 | 0.32 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.31 |
| ▸ | ACACB | O00763 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.30 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.30 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.30 |
| ▸ | PLK4 | O00444 | 1/20 | 0.30 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.30 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.30 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.30 |
| ▸ | PAK4 | O96013 | 1/20 | 0.30 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27808346 | 0.94 | TGFBR1 (0.37) | TGFBR1TGFBR2HDAC1PDK1IRAK4 | |
| SCHEMBL3728613 | 0.90 | PPARA (0.36) | TGFBR1TGFBR2HDAC1CYP3A4CYP2C8 | |
| SCHEMBL4154920 | 0.90 | TGFBR1 (0.35) | TGFBR1TGFBR2HDAC1CDK8PDK1 | |
| SCHEMBL27808293 | 0.89 | TGFBR1 (0.37) | TGFBR1TGFBR2HDAC1CDK8IRAK4 | |
| SCHEMBL27808352 | 0.88 | TGFBR1 (0.39) | TGFBR1TGFBR2CDK8PDK1IRAK4 | |
| SCHEMBL3727835 | 0.84 | TGFBR1 (0.36) | TGFBR1TGFBR2HDAC1PDK1IRAK4 | |
| SCHEMBL4150410 | 0.83 | TGFBR1 (0.36) | TGFBR1TGFBR2HDAC1PDK1IRAK4 | |
| SCHEMBL28787418 | 0.82 | TGFBR1 (0.40) | TGFBR1TGFBR2CDK8IRAK4CYP3A4 | |
| SCHEMBL4158616 | 0.80 | TGFBR1 (0.42) | TGFBR1TGFBR2CDK8CYP3A4CYP2C8 | |
| SCHEMBL4150696 | 0.80 | TGFBR1 (0.38) | TGFBR1TGFBR2CDK8PDK1IRAK4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101970435-B | Pyrrolopyrimidines and pyrrolopyridines | NOVARTIS AG | 2014-07-02 | — | — | CN | disclosed |
| CN-101970435-A | Pyrrolopyrimidines and pyrrolopyridines | NOVARTIS AG | 2011-02-09 | — | — | CN | disclosed |