Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 5/20 | 0.48 |
| ▸ | PIK3CA | P42336 | 5/20 | 0.48 |
| ▸ | PIK3CB | P42338 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | PIK3CG | P48736 | 5/20 | 0.39 |
| ▸ | AR | P10275 | 2/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | LIPA | P38571 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL725151 | 0.75 | MAPT (0.66) | PIK3CDPIK3CAPIK3CBALDH1A1MAPT | |
| SCHEMBL723767 | 0.74 | PIK3CD (0.56) | PIK3CDPIK3CAPIK3CBALDH1A1MAPT | |
| SCHEMBL28253992 | 0.71 | SMN1; SMN2 (0.49) | PIK3CDPIK3CAPIK3CBALDH1A1MAPT | |
| SCHEMBL9158583 | 0.68 | PIK3CD (0.54) | PIK3CDPIK3CAPIK3CBALDH1A1MAPT | |
| SCHEMBL1574758 | 0.68 | PIK3CD (0.78) | PIK3CDPIK3CAPIK3CBALDH1A1MAPT | |
| SCHEMBL28003504 | 0.67 | AR (0.52) | PIK3CDPIK3CAPIK3CBALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL6114749 | 0.67 | PIK3CD (0.76) | PIK3CDPIK3CAPIK3CBALDH1A1MAPT | |
| SCHEMBL724741 | 0.66 | CTSK (0.45) | PIK3CDPIK3CAPIK3CBALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL5010640 | 0.66 | PIK3CD (0.74) | PIK3CDPIK3CAPIK3CBALDH1A1MAPT | |
| SCHEMBL3328268 | 0.65 | PIK3CD (1.00) | PIK3CDPIK3CAPIK3CBALDH1A1MAPT |
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-105579447-A | Ethynyl derivatives | HOFFMANN LA ROCHE | 2016-05-11 | — | — | CN | disclosed |