Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTK | P33981 | 4/20 | 0.65 |
| ▸ | PTK2 | Q05397 | 7/20 | 0.57 |
| ▸ | MAP4K1 | Q92918 | 6/20 | 0.56 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.51 |
| ▸ | IGF1R | P08069 | 2/20 | 0.50 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.49 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.49 |
| ▸ | ZAP70 | P43403 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL30372136 | 0.89 | MAP4K1 (0.66) | TTKPTK2MAP4K1 | |
| SCHEMBL29017307 | 0.89 | MAP4K1 (0.66) | TTKPTK2MAP4K1 | |
| SCHEMBL12429374 | 0.82 | PTK2 (0.69) | TTKPTK2ALKIGF1RMAPK8 | |
| SCHEMBL30372123 | 0.81 | MAP4K1 (0.72) | TTKPTK2MAP4K1ALKIGF1R | |
| SCHEMBL30372758 | 0.81 | AXL (0.69) | TTKPTK2MAP4K1ALK | |
| SCHEMBL17731736 | 0.79 | TTK (1.00) | TTKPTK2MAP4K1ALKIGF1R | |
| SCHEMBL30372090 | 0.79 | EGFR (0.59) | TTKPTK2MAP4K1ALK | |
| SCHEMBL29017291 | 0.79 | PTK2 (0.54) | TTKPTK2IGF1RPIK3CBMAPK8 | |
| SCHEMBL23566973 | 0.78 | EGFR (0.68) | TTKPTK2MAP4K1ALKIGF1R | |
| SCHEMBL30736226 | 0.78 | EGFR (0.68) | TTKPTK2MAP4K1ALKIGF1R |
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 |
|---|---|---|---|---|---|---|---|
| CN-116239597-A | Pyrimidine pyrrole derivative and medicinal composition and application thereof | 中国科学院上海药物研究所 | 2023-06-09 | — | — | CN | claimed |
| CN-116239597-A | Pyrimidine pyrrole derivative and medicinal composition and application thereof | 中国科学院上海药物研究所 | 2023-06-09 | — | — | CN | disclosed |