Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 9/20 | 0.49 |
| ▸ | RAB9A | P51151 | 7/20 | 0.49 |
| ▸ | NPC1 | O15118 | 5/20 | 0.49 |
| ▸ | MAPT | P10636 | 5/20 | 0.49 |
| ▸ | GAA | P10253 | 5/20 | 0.49 |
| ▸ | PIK3CD | O00329 | 4/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.44 |
| ▸ | PIK3CB | P42338 | 4/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | PIK3CG | P48736 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | AR | P10275 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL724741 | 0.76 | CTSK (0.45) | SMN1; SMN2RAB9ANPC1MAPTGAA | |
| SCHEMBL723767 | 0.75 | PIK3CD (0.56) | SMN1; SMN2MAPTGAAPIK3CDPIK3CA | |
| SCHEMBL9158583 | 0.71 | PIK3CD (0.54) | SMN1; SMN2RAB9ANPC1MAPTGAA | |
| SCHEMBL28064462 | 0.71 | PIK3CD (0.48) | SMN1; SMN2RAB9ANPC1MAPTGAA | |
| SCHEMBL725151 | 0.71 | MAPT (0.66) | SMN1; SMN2MAPTGAAPIK3CDPIK3CA | |
| SCHEMBL29853803 | 0.70 | PIK3CD (0.52) | SMN1; SMN2RAB9ANPC1MAPTGAA | |
| SCHEMBL5456183 | 0.69 | ALDH1A1 (0.66) | SMN1; SMN2RAB9ANPC1MAPTGAA | |
| SCHEMBL4850658 | 0.68 | PIK3CD (0.61) | SMN1; SMN2RAB9ANPC1MAPTGAA | |
| SCHEMBL28003504 | 0.67 | AR (0.52) | SMN1; SMN2RAB9ANPC1MAPTGAA | |
| SCHEMBL20243714 | 0.67 | LMNA (0.58) | SMN1; SMN2RAB9ANPC1MAPTAR |
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-B | Ethynyl derivatives serving | 豪夫迈·罗氏有限公司 | 2018-11-13 | — | — | CN | disclosed |