Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK3 | P52333 | 1/20 | 0.53 |
| ▸ | BTK | Q06187 | 1/20 | 0.53 |
| ▸ | TTK | P33981 | 7/20 | 0.52 |
| ▸ | PTK2 | Q05397 | 8/20 | 0.52 |
| ▸ | TTBK1 | Q5TCY1 | 1/20 | 0.52 |
| ▸ | TTBK2 | Q6IQ55 | 1/20 | 0.52 |
| ▸ | JAK2 | O60674 | 1/20 | 0.50 |
| ▸ | BRD4 | O60885 | 1/20 | 0.50 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.47 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | IGF1R | P08069 | 1/20 | 0.46 |
| ▸ | CCNK | O75909 | 1/20 | 0.46 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.46 |
| ▸ | CDK2 | P24941 | 1/20 | 0.46 |
| ▸ | CCND3 | P30281 | 1/20 | 0.46 |
| ▸ | CDK9 | P50750 | 1/20 | 0.46 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29017291 | 0.90 | PTK2 (0.54) | TTKPTK2PIK3CBMAPK8IGF1R | |
| SCHEMBL14547750 | 0.80 | TTK (0.63) | JAK3BTKTTKPTK2TTBK1 | |
| SCHEMBL29017299 | 0.79 | CCND3 (0.52) | JAK3BTKPTK2JAK2BRD4 | |
| SCHEMBL29017419 | 0.79 | MAP4K1 (0.51) | JAK3BTK | |
| SCHEMBL4383026 | 0.78 | JAK3 (0.59) | JAK3BTKTTKPTK2TTBK1 | |
| SCHEMBL12085313 | 0.78 | JAK3 (0.70) | JAK3BTKTTKPTK2TTBK1 | |
| SCHEMBL4383739 | 0.78 | JAK2 (0.60) | JAK3BTKTTKPTK2TTBK1 | |
| SCHEMBL12085388 | 0.76 | JAK3 (0.73) | JAK3BTKTTKPTK2TTBK1 | |
| SCHEMBL24243309 | 0.76 | TTK (0.67) | JAK3BTKTTKPTK2TTBK1 | |
| SCHEMBL27806139 | 0.76 | ZAP70 (0.72) | TTBK1TTBK2JAK2TP53MAPT |
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-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 |