Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 11/20 | 0.61 |
| ▸ | TNNI3K | Q59H18 | 3/20 | 0.58 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.54 |
| ▸ | ABL1 | P00519 | 1/20 | 0.50 |
| ▸ | ABL2 | P42684 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | CDK1 | P06493 | 1/20 | 0.49 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.49 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.49 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.49 |
| ▸ | CDK2 | P24941 | 1/20 | 0.49 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.49 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL1387302 | 0.90 | EGFR (0.72) | EGFRTNNI3KERBB2ABL1ABL2 | |
| SCHEMBL690632 | 0.87 | EGFR (0.62) | EGFRTNNI3KERBB2ABL1ABL2 | |
| SCHEMBL15197936 | 0.85 | EGFR (0.56) | EGFRTNNI3KERBB2ABL1ABL2 | |
| SCHEMBL2782010 | 0.83 | EGFR (0.65) | EGFRTNNI3KERBB2NPSR1HTT | |
| SCHEMBL8799864 | 0.83 | EGFR (0.57) | EGFRTNNI3KERBB2ABL1ABL2 | |
| SCHEMBL2279629 | 0.82 | EGFR (0.59) | EGFRTNNI3KNPSR1HTTHIF1A | |
| SCHEMBL2203875 | 0.81 | EGFR (0.55) | EGFRTNNI3KERBB2ABL1ABL2 | |
| SCHEMBL13064955 | 0.81 | CDK5 (0.61) | EGFRTNNI3KCDK1CCNB1CCNA2 | |
| SCHEMBL8798959 | 0.81 | EGFR (0.58) | EGFRTNNI3KNPSR1HTTHIF1A | |
| SCHEMBL7771269 | 0.81 | EGFR (0.66) | EGFRTNNI3KNPSR1HTTRAB9A |
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 |