Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CCR5 | P51681 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | CRHR1 | P34998 | 4/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | DYRK1A | Q13627 | 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 | |
|---|---|---|---|---|
| SCHEMBL29833056 | 0.81 | ALDH1A1 (0.43) | CYP3A4SLC6A4SLC6A2KDM4E | |
| SCHEMBL29833489 | 0.81 | ALDH1A1 (0.43) | CYP3A4SLC6A4SLC6A2KDM4E | |
| SCHEMBL15400785 | 0.80 | EGFR (0.36) | CCR5SLC6A4SLC6A2KDM4EGLA | |
| SCHEMBL18228105 | 0.77 | CCR5 (0.35) | CCR5SLC6A4SLC6A2KDM4EGLA | |
| SCHEMBL34467440 | 0.76 | CREBBP (0.42) | HPGDHDAC2 | |
| SCHEMBL5865730 | 0.75 | CRHR1 (0.39) | HPGDSLC6A4SLC6A2CRHR1 | |
| SCHEMBL6104478 | 0.75 | ERN1 (0.41) | HPGDCRHR1KDM4E | |
| SCHEMBL21590191 | 0.75 | ALDH1A1 (0.46) | KDM4E | |
| SCHEMBL24773629 | 0.73 | CHEK1 (0.42) | CYP3A4CCR5KDM4EGLADYRK1A | |
| SCHEMBL10420297 | 0.72 | S100B (0.50) | CYP3A4DPP4CRHR1 |
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 |