Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 15/20 | 0.78 |
| ▸ | TNNI3K | Q59H18 | 3/20 | 0.55 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL27408585 | 0.92 | EGFR (0.74) | EGFRTNNI3KHTTMAPTCYP1A2 | |
| SCHEMBL1387302 | 0.86 | EGFR (0.72) | EGFRTNNI3KHTTHIF1ANPC1 | |
| SCHEMBL8798594 | 0.85 | EGFR (0.85) | EGFRTNNI3KHTTMAPTCYP1A2 | |
| SCHEMBL8799214 | 0.84 | EGFR (0.83) | EGFRTNNI3KHTTMAPTNPC1 | |
| SCHEMBL27423221 | 0.82 | EGFR (0.67) | EGFRTNNI3KMAPTNPC1RECQL | |
| SCHEMBL8797958 | 0.81 | EGFR (0.77) | EGFRTNNI3KHTTMAPTCYP1A2 | |
| SCHEMBL8798563 | 0.81 | EGFR (0.66) | EGFRTNNI3KHTTMAPTHIF1A | |
| SCHEMBL2782010 | 0.80 | EGFR (0.65) | EGFRTNNI3KHTTHIF1ANPC1 | |
| SCHEMBL8318298 | 0.78 | EGFR (0.71) | EGFRCYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL690632 | 0.78 | EGFR (0.62) | EGFRTNNI3KHTTHIF1ANPC1 |
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 |