Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | QDPR | P09417 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | THPO | P40225 | 1/20 | 0.42 |
| ▸ | USP7 | Q93009 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | PLG | P00747 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14571692 | 0.84 | QDPR (0.42) | QDPRALOX15PLGHTR2ANPSR1 | |
| SCHEMBL16018035 | 0.83 | CYP3A4 (0.44) | CYP3A4DPP4ALOX15MEN1KMT2A | |
| SCHEMBL16018021 | 0.79 | CHRM1 (0.41) | CYP3A4DPP4ALOX15MEN1KMT2A | |
| SCHEMBL28514955 | 0.78 | PIK3CD (0.43) | QDPRALOX15HTR2A | |
| SCHEMBL3133781 | 0.78 | CHRM1 (0.39) | CYP3A4DPP4ALOX15CHRM1MAOA | |
| SCHEMBL25164854 | 0.74 | CYP3A4 (0.37) | CYP3A4DPP4ALOX15CHRM1MAOA | |
| SCHEMBL20648919 | 0.74 | NPSR1 (0.38) | QDPRALOX15PLGHTR2ANPSR1 | |
| SCHEMBL16010045 | 0.74 | GPR55 (0.47) | CYP3A4ALOX15CHRM1MAOATBXA2R | |
| SCHEMBL5408841 | 0.73 | CYP1A2 (0.46) | QDPRCYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL28517076 | 0.73 | QDPR (0.53) | QDPRCYP3A4CYP1A2CYP2D6CYP2C9 |
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 |