Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | THPO | P40225 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | QDPR | P09417 | 2/20 | 0.44 |
| ▸ | ESR1 | P03372 | 4/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.43 |
| ▸ | DRD1 | P21728 | 5/20 | 0.42 |
| ▸ | DRD2 | P14416 | 3/20 | 0.42 |
| ▸ | DRD5 | P21918 | 3/20 | 0.42 |
| ▸ | DRD3 | P35462 | 3/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | USP7 | Q93009 | 1/20 | 0.42 |
| ▸ | NOS3 | P29474 | 2/20 | 0.39 |
| ▸ | NOS1 | P29475 | 2/20 | 0.39 |
| ▸ | NOS2 | P35228 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29975464 | 0.85 | ESR2 (0.39) | CYP2C9MAPTESR1ESR2AR | |
| SCHEMBL5115814 | 0.83 | ADRA1D (0.43) | CYP1A2CYP3A4CYP2D6CYP2C9THPO | |
| SCHEMBL30962867 | 0.83 | HTR1B (0.51) | CYP1A2CYP3A4CYP2D6CYP2C9THPO | |
| SCHEMBL5120391 | 0.83 | NOS1 (0.53) | CYP1A2CYP3A4CYP2D6CYP2C9THPO | |
| SCHEMBL17368685 | 0.82 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2D6CYP2C9THPO | |
| SCHEMBL21590194 | 0.81 | NOS2 (0.55) | MAPTQDPRDRD1DRD2DRD5 | |
| SCHEMBL27195842 | 0.80 | SLC22A12 (0.41) | MAPTBLMNPSR1DRD3DRD4 | |
| SCHEMBL30863462 | 0.79 | RBP4 (0.44) | MAPTDRD4 | |
| SCHEMBL27195848 | 0.79 | RBP4 (0.44) | MAPTDRD4 | |
| SCHEMBL10077963 | 0.79 | DRD4 (0.48) | QDPRDRD4 |
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 |