Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K1 | Q92918 | 7/20 | 0.72 |
| ▸ | ALK | Q9UM73 | 3/20 | 0.72 |
| ▸ | TTK | P33981 | 2/20 | 0.68 |
| ▸ | IGF1R | P08069 | 4/20 | 0.65 |
| ▸ | INSR | P06213 | 1/20 | 0.65 |
| ▸ | PTK2 | Q05397 | 5/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL30372758 | 0.86 | AXL (0.69) | MAP4K1ALKTTKPTK2 | |
| SCHEMBL30372297 | 0.85 | MAP4K1 (0.67) | MAP4K1ALKTTKPTK2 | |
| SCHEMBL30371918 | 0.84 | TTK (0.75) | MAP4K1ALKTTKIGF1R | |
| SCHEMBL30372441 | 0.84 | MAP4K1 (1.00) | MAP4K1 | |
| SCHEMBL30372440 | 0.84 | MAP4K1 (1.00) | MAP4K1 | |
| SCHEMBL21149588 | 0.84 | ALK (0.72) | MAP4K1ALKTTKIGF1RINSR | |
| SCHEMBL30372483 | 0.83 | AXL (0.58) | MAP4K1ALKTTKIGF1RINSR | |
| SCHEMBL29017297 | 0.83 | AXL (0.58) | MAP4K1ALKTTKIGF1RINSR | |
| SCHEMBL11919325 | 0.83 | PTK2 (0.84) | MAP4K1ALKIGF1RINSRPTK2 | |
| SCHEMBL29519543 | 0.82 | TTK (0.85) | MAP4K1ALKTTKIGF1RINSR |
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 3 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-B | Pyrimidine pyrrole derivative and medicinal composition and application thereof | 中国科学院上海药物研究所 | 2024-08-06 | — | — | CN | disclosed |
| 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 |