Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | DRD3 | P35462 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CCR4 | P51679 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | HTR1D | P28221 | 1/20 | 0.38 |
| ▸ | HTR1B | P28222 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR1E | P28566 | 1/20 | 0.38 |
| ▸ | HTR1F | P30939 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 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 | |
|---|---|---|---|---|
| SCHEMBL28513873 | 0.89 | GAA (0.51) | GAAMAPTDRD2DRD3MAPK1 | |
| SCHEMBL28502420 | 0.85 | MAPT (0.51) | MAPTMAPK1HTR6CYP1A2CYP3A4 | |
| SCHEMBL14922293 | 0.84 | DRD2 (0.44) | MAPTDRD2DRD3CCR4HTR6 | |
| SCHEMBL20180619 | 0.83 | DRD2 (0.42) | MAPTDRD2DRD3CCR4ACHE | |
| SCHEMBL21590338 | 0.83 | GAA (0.47) | GAAMAPTDRD2DRD3MAPK1 | |
| SCHEMBL21590228 | 0.81 | MAPT (0.44) | GAAMAPTDRD2DRD3CCR4 | |
| SCHEMBL24123635 | 0.79 | ALDH1A1 (0.43) | MAPTDRD2DRD3CCR4HTR6 | |
| SCHEMBL24723273 | 0.79 | MAPT (0.47) | MAPTMAPK1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL13958141 | 0.78 | MAPT (0.52) | GAAMAPTMAPK1 | |
| SCHEMBL21590162 | 0.76 | MAPT (0.51) | MAPTMAPK1HTR6CYP1A2HTR1A |
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-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 |
| WO-2019238067-A1 | PYRROLO [2, 3-B] PYRIDINES OR PYRROLO [2, 3-B] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF | BEIGENE, LTD. (KY) | 2019-12-19 | — | — | WO | disclosed |