Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | CASP1 | P29466 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | CASP7 | P55210 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.30 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.30 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13373284 | 0.88 | ADORA2A (0.32) | ALDH1A1KDM4EMEN1MAPTKMT2A | |
| SCHEMBL13373340 | 0.80 | ADORA1 (0.37) | ALDH1A1KDM4EMEN1MAPTKMT2A | |
| SCHEMBL13373400 | 0.79 | ALDH1A1 (0.33) | ALDH1A1KDM4EMEN1MAPTKMT2A | |
| SCHEMBL13373313 | 0.79 | IKBKB (0.35) | ALDH1A1KDM4EMEN1MAPTKMT2A | |
| SCHEMBL13373303 | 0.78 | KDR (0.31) | ALDH1A1USP2CYP1A2GLAHPGD | |
| SCHEMBL13373301 | 0.78 | GAA (0.34) | ALDH1A1KDM4EMEN1MAPTKMT2A | |
| SCHEMBL13373339 | 0.76 | ALDH1A1 (0.32) | ALDH1A1MEN1KMT2ACCNE1CDK2 | |
| SCHEMBL11298580 | 0.75 | ALDH1A1 (0.33) | ALDH1A1KDM4EMEN1MAPTKMT2A | |
| SCHEMBL13373269 | 0.74 | ALDH1A1 (0.43) | ALDH1A1KDM4EMEN1MAPTKMT2A | |
| SCHEMBL13373292 | 0.74 | AXL (0.36) | ALDH1A1KDM4EMEN1MAPTKMT2A |
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-8288400-B2 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-10-16 | — | — | US | disclosed |