Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 14/20 | 0.54 |
| ▸ | TNNI3K | Q59H18 | 2/20 | 0.49 |
| ▸ | KDR | P35968 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | ERBB3 | P21860 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | ERBB2 | P04626 | 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 | |
|---|---|---|---|---|
| SCHEMBL8798959 | 0.83 | EGFR (0.58) | EGFRTNNI3KKDRMEN1NPC1 | |
| SCHEMBL27408585 | 0.80 | EGFR (0.74) | EGFRTNNI3KMEN1NPC1RAB9A | |
| SCHEMBL1387302 | 0.80 | EGFR (0.72) | EGFRTNNI3KMAPK1MEN1NPC1 | |
| SCHEMBL27337220 | 0.77 | EGFR (0.78) | EGFRTNNI3KMAPK1NPC1RAB9A | |
| SCHEMBL7778617 | 0.76 | EGFR (0.64) | EGFRTNNI3KKDRMEN1NPC1 | |
| SCHEMBL1387422 | 0.74 | EGFR (0.65) | EGFRTNNI3KKDRMEN1NPC1 | |
| SCHEMBL1387382 | 0.74 | MEN1 (0.52) | EGFRTNNI3KKDRMEN1NPC1 | |
| SCHEMBL8798667 | 0.74 | EGFR (0.61) | EGFRTNNI3KMAPK1RAB9AHTT | |
| SCHEMBL2782010 | 0.74 | EGFR (0.65) | EGFRTNNI3KMEN1NPC1RAB9A | |
| SCHEMBL2279629 | 0.73 | EGFR (0.59) | EGFRTNNI3KNPC1HTTHIF1A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1047778-C | Pyrimido [5-4-d] pyrimidines, drugs containing these compounds, their use and process for preparing them | THOMAE GMBH DR K (DE) | 1999-12-29 | — | — | CN | disclosed |