Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 8/20 | 0.36 |
| ▸ | PIM1 | P11309 | 9/20 | 0.36 |
| ▸ | PIM2 | Q9P1W9 | 5/20 | 0.36 |
| ▸ | PIM3 | Q86V86 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22300598 | 0.76 | MAPK1 (0.75) | MAPK1MAP4K1LRRK2CYP1A2 | |
| SCHEMBL22288262 | 0.72 | LRRK2 (0.38) | LRRK2CYP1A2 | |
| SCHEMBL21863532 | 0.70 | MGLL (0.31) | MAP4K1PIM1PIM2PIM3 | |
| SCHEMBL4562072 | 0.68 | LRRK2 (0.67) | LRRK2CYP1A2 | |
| SCHEMBL22008379 | 0.68 | PIM1 (0.44) | PIM1PIM2PIM3 | |
| SCHEMBL21046862 | 0.65 | LRRK2 (0.50) | LRRK2PIM1 | |
| SCHEMBL12967352 | 0.64 | MAP4K4 (0.40) | MAP4K1 | |
| SCHEMBL21848989 | 0.64 | MGLL (0.30) | — | |
| SCHEMBL22288311 | 0.64 | MAPK1 (0.48) | MAPK1LRRK2CYP1A2 | |
| SCHEMBL13062788 | 0.63 | MGLL (0.33) | MAP4K1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111484482-B | Alkynyl pyrimidine or alkynyl pyridine compound, and composition and application thereof | 北京赛特明强医药科技有限公司 | 2022-06-21 | — | — | CN | disclosed |
| WO-2020156283-A1 | ALKYNYLPYRIMIDINE OR ALKYNYLPYRIDINE COMPOUND, AND COMPOSITION AND APPLICATION THEREOF | 北京赛特明强医药科技有限公司 | 2020-08-06 | — | — | WO | disclosed |
| WO-2020156283-A1 | ALKYNYLPYRIMIDINE OR ALKYNYLPYRIDINE COMPOUND, AND COMPOSITION AND APPLICATION THEREOF | 北京赛特明强医药科技有限公司 | 2020-08-06 | — | — | WO | disclosed |
| CN-111484482-A | Alkynyl pyrimidine or alkynyl pyridine compound, and composition and application thereof | 北京赛特明强医药科技有限公司 | 2020-08-04 | — | — | CN | disclosed |