Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 2/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
| ▸ | MLYCD | O95822 | 1/20 | 0.39 |
| ▸ | ESRRG | P62508 | 1/20 | 0.39 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.38 |
| ▸ | MTOR | P42345 | 2/20 | 0.38 |
| ▸ | PIK3CG | P48736 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28499683 | 0.90 | HDAC6 (0.43) | HDAC4DRD2MCHR1MLYCDESRRG | |
| SCHEMBL26699702 | 0.86 | NAMPT (0.46) | DRD2MLYCDESRRGHDAC6LPL | |
| SCHEMBL490705 | 0.82 | LPL (0.44) | HDAC4MLYCDLPLLIPG | |
| SCHEMBL22858927 | 0.81 | ALDH1A1 (0.50) | MLYCD | |
| SCHEMBL12237841 | 0.80 | CDK4 (0.50) | HDAC4DRD2PDK1MCHR1MLYCD | |
| SCHEMBL25975198 | 0.80 | HDAC4 (0.49) | HDAC4DRD2PDK1MCHR1MLYCD | |
| SCHEMBL177498 | 0.80 | MLYCD (0.64) | MCHR1MLYCDESRRG | |
| SCHEMBL28513496 | 0.80 | DRD2 (0.44) | HDAC4DRD2MLYCDHDAC6HDAC3 | |
| SCHEMBL4022759 | 0.79 | DPP4 (0.40) | HDAC6HDAC1LPLLIPG | |
| SCHEMBL15208211 | 0.79 | HDAC4 (0.48) | HDAC4DRD2PDK1MCHR1MLYCD |
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-112243439-A | Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof | 百济神州有限公司 | 2021-01-19 | — | — | CN | disclosed |