Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.37 |
| ▸ | CDK8 | P49336 | 6/20 | 0.33 |
| ▸ | ACACB | O00763 | 1/20 | 0.33 |
| ▸ | JAK1 | P23458 | 1/20 | 0.33 |
| ▸ | CFD | P00746 | 1/20 | 0.32 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.31 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.31 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.31 |
| ▸ | CETP | P11597 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | PIKFYVE | Q9Y2I7 | 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 | |
|---|---|---|---|---|
| SCHEMBL3796758 | 0.90 | CYP3A4 (0.38) | TGFBR1CYP3A4CYP2C8ACACBJAK1 | |
| SCHEMBL4167086 | 0.89 | CYP3A4 (0.38) | TGFBR1CYP3A4CYP2C8CDK8ACACB | |
| SCHEMBL27828792 | 0.89 | TGFBR1 (0.36) | TGFBR1CYP3A4CYP2C8CDK8ACACB | |
| SCHEMBL27808283 | 0.87 | TGFBR1 (0.39) | TGFBR1CYP3A4CYP2C8CDK8JAK1 | |
| SCHEMBL27808284 | 0.84 | TGFBR1 (0.42) | TGFBR1CYP3A4CYP2C8CDK8JAK1 | |
| SCHEMBL27808346 | 0.82 | TGFBR1 (0.37) | TGFBR1CYP3A4CYP2C8IRAK4TGFBR2 | |
| SCHEMBL4156980 | 0.82 | ACACB (0.43) | TGFBR1CYP3A4CYP2C8CDK8ACACB | |
| SCHEMBL27808216 | 0.81 | TGFBR1 (0.40) | TGFBR1CYP3A4CYP2C8CDK8JAK1 | |
| SCHEMBL27808359 | 0.81 | TGFBR1 (0.39) | TGFBR1CYP3A4CYP2C8CDK8JAK1 | |
| SCHEMBL4159244 | 0.80 | TGFBR1 (0.45) | TGFBR1CYP3A4CYP2C8CDK8TGFBR2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101970435-A | Pyrrolopyrimidines and pyrrolopyridines | NOVARTIS AG | 2011-02-09 | — | — | CN | disclosed |