Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | DRD2 | P14416 | 2/20 | 0.47 |
| ▸ | DRD3 | P35462 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CCR4 | P51679 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | HTR1D | P28221 | 1/20 | 0.42 |
| ▸ | HTR1B | P28222 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | HTR1E | P28566 | 1/20 | 0.42 |
| ▸ | HTR1F | P30939 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HTR7 | P34969 | 1/20 | 0.42 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL21590338 | 0.90 | GAA (0.47) | GAADRD2DRD3MAPTMAPK1 | |
| SCHEMBL21590174 | 0.89 | GAA (0.46) | GAADRD2DRD3MAPTMAPK1 | |
| SCHEMBL5240485 | 0.85 | KDM4E (0.46) | GAAMAPTHTR2A | |
| SCHEMBL28503601 | 0.85 | ALDH1A1 (0.41) | GAADRD2HTR1AADRA1B | |
| SCHEMBL28511352 | 0.80 | CHRNB2 (0.53) | DRD2DRD3MAPTHTR6HTR1A | |
| SCHEMBL21388456 | 0.80 | MAPT (0.43) | GAADRD2DRD3MAPTMAPK1 | |
| SCHEMBL2799605 | 0.77 | DRD2 (0.60) | GAADRD2DRD3MAPTMAPK1 | |
| SCHEMBL21388389 | 0.76 | MAPT (0.46) | DRD2DRD3MAPTCCR4HTR1A | |
| SCHEMBL21388463 | 0.75 | DRD2 (0.45) | DRD2DRD3MAPTCCR4HTR1A | |
| SCHEMBL17310109 | 0.75 | ACHE (0.50) | GAADRD2DRD3CYP1A2CYP3A4 |
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 |