Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 6/20 | 0.67 |
| ▸ | JAK3 | P52333 | 4/20 | 0.45 |
| ▸ | TNNI3K | Q59H18 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CCNT1 | O60563 | 3/20 | 0.43 |
| ▸ | CDK9 | P50750 | 3/20 | 0.43 |
| ▸ | CFD | P00746 | 2/20 | 0.42 |
| ▸ | ERBB3 | P21860 | 2/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.42 |
| ▸ | CDK1 | P06493 | 1/20 | 0.42 |
| ▸ | CDK4 | P11802 | 1/20 | 0.42 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.42 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.42 |
| ▸ | CCND1 | P24385 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 1/20 | 0.42 |
| ▸ | ABL2 | P42684 | 1/20 | 0.42 |
| ▸ | GSK3A | P49840 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27338332 | 0.85 | EGFR (0.49) | EGFRJAK3TNNI3KMEN1NPC1 | |
| SCHEMBL27401062 | 0.85 | EGFR (0.49) | EGFRJAK3TNNI3KMEN1NPC1 | |
| SCHEMBL27332161 | 0.85 | JAK3 (0.58) | EGFRJAK3MEN1NPC1RAB9A | |
| SCHEMBL27408584 | 0.85 | EGFR (0.52) | EGFRJAK3TNNI3KMEN1NPC1 | |
| SCHEMBL374504 | 0.84 | EGFR (0.64) | EGFRJAK3TNNI3KMEN1NPC1 | |
| SCHEMBL27338330 | 0.83 | MEN1 (0.50) | EGFRTNNI3KMEN1NPC1RAB9A | |
| SCHEMBL27332169 | 0.83 | EGFR (0.51) | EGFRJAK3MEN1NPC1RAB9A | |
| SCHEMBL27523685 | 0.83 | EGFR (0.51) | EGFRJAK3MAP4K4 | |
| SCHEMBL27345372 | 0.83 | EGFR (0.46) | EGFRJAK3TNNI3KMEN1NPC1 | |
| SCHEMBL27337227 | 0.83 | JAK3 (0.50) | EGFRJAK3TNNI3KMEN1NPC1 |
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 |