Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 12/20 | 0.66 |
| ▸ | TNNI3K | Q59H18 | 4/20 | 0.53 |
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | JAK3 | P52333 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
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 | 0.84 | EGFR (0.72) | EGFRTNNI3KNPC1RAB9AMEN1 | |
| SCHEMBL27337227 | 0.82 | JAK3 (0.50) | EGFRTNNI3KNPC1RAB9AJAK3 | |
| SCHEMBL27337220 | 0.81 | EGFR (0.78) | EGFRTNNI3KNPC1RAB9AMAPT | |
| SCHEMBL17458853 | 0.81 | NPC1 (0.49) | EGFRTNNI3KNPC1RAB9AKDM4E | |
| SCHEMBL27408585 | 0.78 | EGFR (0.74) | EGFRTNNI3KNPC1RAB9AMAPT | |
| SCHEMBL2782010 | 0.78 | EGFR (0.65) | EGFRTNNI3KNPC1RAB9ALMNA | |
| SCHEMBL2857440 | 0.77 | MAPT (0.62) | NPC1RAB9AMAPTKDM4EALDH1A1 | |
| SCHEMBL8798594 | 0.77 | EGFR (0.85) | EGFRTNNI3KNPC1RAB9AMAPT | |
| SCHEMBL8799214 | 0.76 | EGFR (0.83) | EGFRTNNI3KNPC1RAB9AMAPT | |
| Hydrochloric Acid SCHEMBL2857434 | 0.76 | MAPT (0.60) | NPC1RAB9AMAPTKDM4EALDH1A1 |
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 |