Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 4/20 | 0.72 |
| ▸ | PIK3CB | P42338 | 4/20 | 0.72 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.72 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.69 |
| ▸ | GAA | P10253 | 3/20 | 0.69 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.69 |
| ▸ | MAPT | P10636 | 1/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.69 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 2/20 | 0.41 |
| ▸ | PIK3CG | P48736 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6120595 | 0.87 | PIK3CD (0.70) | PIK3CDPIK3CBPIK3CAALDH1A1GAA | |
| SCHEMBL20229568 | 0.87 | PIK3CD (0.52) | PIK3CDPIK3CBPIK3CAALDH1A1GAA | |
| Bromide SCHEMBL6114011 | 0.86 | PIK3CD (0.68) | PIK3CDPIK3CBPIK3CAALDH1A1GAA | |
| SCHEMBL1574758 | 0.84 | PIK3CD (0.78) | PIK3CDPIK3CBPIK3CAALDH1A1GAA | |
| SCHEMBL3328268 | 0.84 | PIK3CD (1.00) | PIK3CDPIK3CBPIK3CAALDH1A1GAA | |
| SCHEMBL625865 | 0.83 | PIK3CA (0.68) | PIK3CDPIK3CBPIK3CAALDH1A1GAA | |
| SCHEMBL3328174 | 0.82 | PIK3CD (0.76) | PIK3CDPIK3CBPIK3CAALDH1A1GAA | |
| Hydrochloric Acid SCHEMBL6114749 | 0.82 | PIK3CD (0.76) | PIK3CDPIK3CBPIK3CAALDH1A1GAA | |
| SCHEMBL24829791 | 0.82 | ALDH1A1 (1.00) | PIK3CDPIK3CBPIK3CAALDH1A1GAA | |
| Hydrochloric Acid SCHEMBL5010640 | 0.81 | PIK3CD (0.74) | PIK3CDPIK3CBPIK3CAALDH1A1GAA |
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 |
|---|---|---|---|---|---|---|---|
| US-9902702-B2 | Spirocycloheptanes as inhibitors of rock | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-02-27 | — | — | US | disclosed |