Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTK2 | Q05397 | 11/20 | 0.59 |
| ▸ | AXL | P30530 | 3/20 | 0.56 |
| ▸ | NEK2 | P51955 | 1/20 | 0.56 |
| ▸ | MAP4K1 | Q92918 | 2/20 | 0.55 |
| ▸ | EGFR | P00533 | 1/20 | 0.55 |
| ▸ | ALK | Q9UM73 | 2/20 | 0.55 |
| ▸ | INSR | P06213 | 1/20 | 0.55 |
| ▸ | IGF1R | P08069 | 1/20 | 0.55 |
| ▸ | CDK7 | P50613 | 1/20 | 0.54 |
| ▸ | CDK9 | P50750 | 1/20 | 0.54 |
| ▸ | AURKA | O14965 | 1/20 | 0.54 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL29833033 | 0.90 | EGFR (0.55) | PTK2AXLMAP4K1EGFRALK | |
| SCHEMBL26717249 | 0.83 | INSR (0.72) | PTK2MAP4K1EGFRALKINSR | |
| SCHEMBL29833016 | 0.82 | PTK2 (0.74) | PTK2EGFRAURKA | |
| SCHEMBL23533980 | 0.82 | CCNA2 (0.69) | PTK2MAP4K1EGFRALKINSR | |
| SCHEMBL29805846 | 0.82 | CCNA2 (0.69) | PTK2MAP4K1EGFRALKINSR | |
| SCHEMBL29833074 | 0.82 | MAPK9 (0.67) | PTK2MAP4K1EGFRALKINSR | |
| SCHEMBL30002962 | 0.81 | AURKA (0.72) | PTK2EGFRAURKAAURKB | |
| SCHEMBL24752369 | 0.81 | AURKA (0.72) | PTK2EGFRAURKAAURKB | |
| SCHEMBL19669895 | 0.79 | CDK7 (0.66) | PTK2MAP4K1EGFRALKINSR | |
| SCHEMBL29833023 | 0.78 | INSR (0.59) | PTK2MAP4K1EGFRALKINSR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022199589-A1 | PYRIMIDINE DERIVATIVES | 南京明德新药研发有限公司 | 2022-09-29 | — | — | WO | disclosed |