Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 10/20 | 0.49 |
| ▸ | TNNI3K | Q59H18 | 4/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | ABL2 | P42684 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | PRKDC | P78527 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.38 |
| ▸ | TUBB | P07437 | 1/20 | 0.38 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.38 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.38 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8798647 | 0.82 | EGFR (0.55) | EGFRTNNI3KHTTRAB9APIK3CA | |
| SCHEMBL8798907 | 0.82 | EGFR (0.52) | EGFRTNNI3KHTTRAB9AABL1 | |
| SCHEMBL8798643 | 0.82 | EGFR (0.55) | EGFRTNNI3KHTTRAB9APIK3CA | |
| SCHEMBL8798960 | 0.81 | EGFR (0.54) | EGFRTNNI3KRAB9APIK3CAPRKDC | |
| SCHEMBL8798648 | 0.81 | EGFR (0.48) | EGFRTNNI3KHTTHIF1ARAB9A | |
| SCHEMBL8801487 | 0.80 | EGFR (0.50) | EGFRTNNI3KRAB9AABL1ABL2 | |
| SCHEMBL8799149 | 0.80 | IRAK4 (0.50) | EGFRTNNI3KTHRB | |
| SCHEMBL8799084 | 0.80 | IRAK4 (0.50) | EGFRTNNI3KTHRB | |
| SCHEMBL8798922 | 0.79 | EGFR (0.52) | EGFRTNNI3KRAB9APIK3CAPRKDC | |
| SCHEMBL8798928 | 0.79 | EGFR (0.52) | 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 |