Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 3/20 | 0.48 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.46 |
| ▸ | FEN1 | P39748 | 1/20 | 0.46 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | KDM5A | P29375 | 1/20 | 0.43 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.43 |
| ▸ | PIK3R2 | O00459 | 1/20 | 0.43 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.43 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.43 |
| ▸ | PIK3R5 | Q8WYR1 | 1/20 | 0.43 |
| ▸ | PIK3R3 | Q92569 | 1/20 | 0.43 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.43 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.40 |
| ▸ | CCR8 | P51685 | 5/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL28941076 | 0.82 | SCN9A (0.49) | SCN9AALOX5APFEN1PIK3CASMN1; SMN2 | |
| SCHEMBL28941103 | 0.82 | SCN9A (0.49) | SCN9AALOX5APFEN1PIK3CASMN1; SMN2 | |
| SCHEMBL13725365 | 0.82 | PDK1 (0.47) | SCN9AALOX5APFEN1PIK3CAPIK3CD | |
| SCHEMBL28941104 | 0.81 | SCN9A (0.44) | SCN9AALOX5APFEN1PIK3CASMN1; SMN2 | |
| SCHEMBL22341858 | 0.81 | SCN9A (0.44) | SCN9AALOX5APFEN1PIK3CASMN1; SMN2 | |
| SCHEMBL22341860 | 0.81 | SCN9A (0.44) | SCN9AALOX5APFEN1PIK3CASMN1; SMN2 | |
| SCHEMBL28292572 | 0.79 | SCN9A (0.44) | SCN9AALOX5APFEN1PIK3CASMN1; SMN2 | |
| SCHEMBL3227298 | 0.78 | SMN1; SMN2 (0.70) | SMN1; SMN2CCR8KCNH2 | |
| SCHEMBL3232177 | 0.74 | IRAK4 (0.42) | SCN9AALOX5APFEN1SMN1; SMN2KDM5A | |
| SCHEMBL15651191 | 0.74 | ADORA2A (0.48) | PIK3CASMN1; SMN2PIK3CDPIK3CBPIK3CG |
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-109689647-A | The compound that bicyclic heteroaryl replaces | 百时美施贵宝公司 | 2019-04-26 | — | — | CN | disclosed |