Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 6/20 | 0.46 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.37 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL29528815 | 0.84 | DHFR (0.39) | DHFRFGFR1P2RX3P2RX2 | |
| SCHEMBL30065933 | 0.80 | NPC1 (0.50) | DHFRFGFR1HSD17B10 | |
| SCHEMBL3663141 | 0.80 | NPC1 (0.50) | DHFRFGFR1HSD17B10 | |
| SCHEMBL27983193 | 0.78 | DHFR (0.39) | DHFRKMT2AMEN1 | |
| SCHEMBL4463005 | 0.76 | HCAR2 (0.42) | DHFRP2RX3P2RX2 | |
| Maleic Acid SCHEMBL28774616 | 0.75 | DHFR (0.35) | DHFRP2RX3P2RX2 | |
| SCHEMBL4457723 | 0.72 | HCAR2 (0.43) | DHFRKMT2AMEN1CYP3A4CYP2C19 | |
| SCHEMBL28664537 | 0.70 | MKNK1 (0.40) | DHFRKMT2AMEN1CYP3A4CYP2C19 | |
| SCHEMBL29973049 | 0.69 | DHFR (0.42) | DHFRFGFR1KMT2A | |
| SCHEMBL28814166 | 0.69 | PIK3CA (0.37) | DHFRFGFR1 |
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-1945631-A1 | 4- (3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER | AstraZeneca AB (SE) | 2008-07-23 | — | — | EP | disclosed |
| WO-2007049041-A1 | 4- (3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2007-05-03 | — | — | WO | disclosed |