Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 6/20 | 0.52 |
| ▸ | TNNI3K | Q59H18 | 4/20 | 0.47 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | PIM1 | P11309 | 3/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | PRKDC | P78527 | 1/20 | 0.41 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.40 |
| ▸ | TUBB | P07437 | 1/20 | 0.40 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.40 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.40 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.40 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.40 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.40 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.40 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.40 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.40 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.40 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.40 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8798928 | 1.00 | EGFR (0.52) | EGFRTNNI3KIRAK4RAB9APIM1 | |
| SCHEMBL8804869 | 1.00 | EGFR (0.52) | EGFRTNNI3KIRAK4RAB9APIM1 | |
| SCHEMBL8798643 | 0.84 | EGFR (0.55) | EGFRTNNI3KIRAK4RAB9APIK3CA | |
| SCHEMBL8798647 | 0.84 | EGFR (0.55) | EGFRTNNI3KIRAK4RAB9APIK3CA | |
| SCHEMBL27322786 | 0.84 | EGFR (0.54) | EGFRTNNI3KIRAK4RAB9APIK3CA | |
| SCHEMBL8799149 | 0.82 | IRAK4 (0.50) | EGFRTNNI3KIRAK4 | |
| SCHEMBL8799084 | 0.82 | IRAK4 (0.50) | EGFRTNNI3KIRAK4 | |
| SCHEMBL8798907 | 0.82 | EGFR (0.52) | EGFRTNNI3KIRAK4RAB9AKCNH2 | |
| SCHEMBL27330860 | 0.81 | KMO (0.48) | IRAK4PIM1CNR2KCNH2MEN1 | |
| SCHEMBL8798960 | 0.81 | EGFR (0.54) | EGFRTNNI3KRAB9APIK3CAPRKDC |
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 |