Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 3/20 | 0.44 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.44 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.39 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.39 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 5/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.33 |
| ▸ | CSF1R | P07333 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23804721 | 0.92 | SMN1; SMN2 (0.46) | PIK3CAPIK3CBPIK3CDSMN1; SMN2PARP1 | |
| SCHEMBL4788094 | 0.87 | PIK3CA (0.39) | PIK3CAPIK3CBPIK3CDSMN1; SMN2SOS1 | |
| SCHEMBL12727282 | 0.86 | PIK3CA (0.46) | PIK3CAPIK3CBPIK3CDSMN1; SMN2PARP1 | |
| SCHEMBL4752635 | 0.84 | PIK3CA (0.42) | PIK3CAPIK3CBPIK3CDSMN1; SMN2PARP1 | |
| SCHEMBL2674386 | 0.82 | HRH3 (0.41) | PIK3CAPIK3CBPIK3CDSMN1; SMN2PARP1 | |
| SCHEMBL189804 | 0.82 | PIK3CA (0.61) | PIK3CAPIK3CBPIK3CDMTORPIK3CG | |
| SCHEMBL2673625 | 0.81 | PIK3CD (0.46) | PIK3CAPIK3CBPIK3CDPIK3CG | |
| SCHEMBL23804692 | 0.81 | SMN1; SMN2 (0.47) | PIK3CAPIK3CBPIK3CDSMN1; SMN2PARP1 | |
| SCHEMBL189736 | 0.80 | PIK3CA (0.53) | PIK3CAPIK3CBPIK3CDMTORPIK3CG | |
| SCHEMBL12873273 | 0.79 | SMN1; SMN2 (0.43) | PIK3CAPIK3CBPIK3CDSMN1; SMN2PARP1 |
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-113045582-B | PARP-1/PI3K double-target inhibitor or pharmaceutically acceptable salt thereof, and preparation method and application thereof | 中国药科大学 | 2022-12-23 | — | — | CN | disclosed |