Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.50 |
| ▸ | CDK1 | P06493 | 3/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | PRKDC | P78527 | 1/20 | 0.42 |
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.41 |
| ▸ | PRKCA | P17252 | 1/20 | 0.40 |
| ▸ | BCL6 | P41182 | 1/20 | 0.40 |
| ▸ | GBA1 | P04062 | 1/20 | 0.39 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.39 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.39 |
| ▸ | ITGAL | P20701 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | KHK | P50053 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27423218 | 0.84 | EGFR (0.52) | EGFRCDK1ADORA2AADORA1ADORA3 | |
| SCHEMBL27323457 | 0.80 | EGFR (0.53) | EGFRPIK3CAPRKDCTNNI3KGBA1 | |
| SCHEMBL8799311 | 0.78 | EGFR (0.52) | EGFRTNNI3KGBA1ITGB2ICAM1 | |
| SCHEMBL8319990 | 0.76 | EGFR (0.54) | EGFRCDK1PRKCAKHK | |
| SCHEMBL8317533 | 0.75 | EGFR (0.46) | EGFRPIK3CAPRKDCTNNI3KHTT | |
| SCHEMBL8315857 | 0.74 | EGFR (0.49) | EGFRPIK3CAPRKDCTNNI3KHTT | |
| SCHEMBL8800521 | 0.74 | EGFR (0.50) | EGFRPIK3CAPRKDCTNNI3KHTT | |
| SCHEMBL8799951 | 0.73 | SCN9A (0.46) | EGFRPIK3CAPRKDCSCN9A | |
| SCHEMBL8314329 | 0.73 | EGFR (0.49) | EGFRPIK3CAPRKDCTNNI3KHTT | |
| SCHEMBL8798398 | 0.72 | SCN9A (0.48) | EGFRTNNI3KSCN9A |
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-1047778-C | Pyrimido [5-4-d] pyrimidines, drugs containing these compounds, their use and process for preparing them | THOMAE GMBH DR K (DE) | 1999-12-29 | — | — | CN | disclosed |