Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 9/20 | 0.83 |
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.51 |
| ▸ | CDK1 | P06493 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.49 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.49 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | XBP1 | P17861 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.49 |
| ▸ | KDR | P35968 | 3/20 | 0.46 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.46 |
| ▸ | CDK4 | P11802 | 1/20 | 0.46 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.46 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.46 |
| ▸ | CCND1 | P24385 | 1/20 | 0.46 |
| ▸ | CDK2 | P24941 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8798594 | 0.96 | EGFR (0.85) | EGFRTNNI3KCDK1KDM4EMAPT | |
| SCHEMBL27408585 | 0.87 | EGFR (0.74) | EGFRTNNI3KMAPTNPC1RAB9A | |
| SCHEMBL8797958 | 0.84 | EGFR (0.77) | EGFRTNNI3KKDM4EMAPTMAPK1 | |
| SCHEMBL27337220 | 0.84 | EGFR (0.78) | EGFRTNNI3KMAPTMAPK1NPC1 | |
| SCHEMBL2174704 | 0.83 | EGFR (0.67) | EGFRCDK1KDM4EMAPTMAPK1 | |
| SCHEMBL27423221 | 0.82 | EGFR (0.67) | EGFRTNNI3KMAPTNPC1RAB9A | |
| SCHEMBL1387302 | 0.82 | EGFR (0.72) | EGFRTNNI3KMAPK1NPC1RAB9A | |
| SCHEMBL7778617 | 0.80 | EGFR (0.64) | EGFRTNNI3KNPC1RAB9AKDR | |
| SCHEMBL10581290 | 0.79 | MAPT (0.69) | EGFRKDM4EMAPTMAPK1HTT | |
| SCHEMBL27319709 | 0.79 | EGFR (0.58) | EGFRCDK1KDM4EMAPTMAPK1 |
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-0779888-A1 | PYRIMIDO [5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM | Dr. Karl Thomae GmbH (DE) | 1997-06-25 | — | — | EP | disclosed |
| WO-1996007657-A1 | PYRIMIDO[5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM | DR. KARL THOMAE GMBH (DE) | 1996-03-14 | — | — | WO | disclosed |