Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | TNNI3K | Q59H18 | 2/20 | 0.46 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | PRKDC | P78527 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL8799584 | 1.00 | EGFR (0.47) | EGFRMEN1KMT2ATNNI3KSCN9A | |
| SCHEMBL8314329 | 0.85 | EGFR (0.49) | EGFRMEN1KMT2ATNNI3KSCN9A | |
| SCHEMBL8800521 | 0.79 | EGFR (0.50) | EGFRMEN1KMT2ATNNI3KSCN9A | |
| SCHEMBL8805243 | 0.79 | EGFR (0.55) | EGFRTNNI3KSCN9AKDR | |
| SCHEMBL8315857 | 0.77 | EGFR (0.49) | EGFRKMT2ATNNI3KSCN9ALMNA | |
| SCHEMBL27323457 | 0.76 | EGFR (0.53) | EGFRTNNI3KSCN9ALMNAMAPK10 | |
| SCHEMBL1387302 | 0.76 | EGFR (0.72) | EGFRMEN1KMT2ATNNI3KMAPK1 | |
| SCHEMBL8317533 | 0.75 | EGFR (0.46) | EGFRMEN1KMT2ATNNI3KSCN9A | |
| SCHEMBL8798398 | 0.75 | SCN9A (0.48) | EGFRTNNI3KSCN9AMAPK10USP2 | |
| SCHEMBL8799311 | 0.75 | EGFR (0.52) | EGFRKMT2ATNNI3KSCN9ALMNA |
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 |