Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 7/20 | 0.50 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | JAK3 | P52333 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | RPS6KA3 | P51812 | 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 | |
|---|---|---|---|---|
| SCHEMBL4188897 | 0.86 | DHFR (0.54) | DHFRFGFR1ADORA1LCKKDR | |
| SCHEMBL4464780 | 0.79 | FGFR1 (0.55) | DHFRFGFR1ADORA1LCKKDR | |
| SCHEMBL4486186 | 0.79 | FGFR1 (0.55) | DHFRFGFR1ADORA1NOS3NOS1 | |
| SCHEMBL736022 | 0.77 | DHFR (0.58) | DHFRFGFR1ADORA1RPS6KA3 | |
| SCHEMBL24309846 | 0.77 | FEN1 (0.45) | ADORA1NOS3NOS1NOS2LCK | |
| SCHEMBL30488016 | 0.75 | ADORA1 (0.70) | DHFRFGFR1ADORA1LCKKDR | |
| SCHEMBL1388276 | 0.75 | ADORA1 (0.70) | DHFRFGFR1ADORA1LCKKDR | |
| SCHEMBL1612609 | 0.73 | DHFR (0.51) | DHFRFGFR1LCKKDRJAK3 | |
| SCHEMBL4200127 | 0.73 | FGFR1 (0.71) | DHFRFGFR1ADORA1LCKKDR | |
| SCHEMBL4354112 | 0.72 | FGFR1 (0.56) | DHFRFGFR1ADORA1LCKKDR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2032543-A1 | 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES | Boehringer Ingelheim International GmbH (DE) | 2009-03-11 | — | — | EP | disclosed |
| WO-2007146977-A1 | 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-12-21 | — | — | WO | disclosed |