Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | GRM5 | P41594 | 2/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 5/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | PGK1 | P00558 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.30 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11444986 | 0.84 | KCNH2 (0.46) | KCNH2GRM5PTGDR2FFAR1CNR1 | |
| SCHEMBL1921804 | 0.76 | KCNH2 (0.48) | KCNH2GRM5PTGDR2FFAR1CNR1 | |
| SCHEMBL29116864 | 0.75 | MAPT (0.53) | KCNH2MAPTBLM | |
| SCHEMBL29096084 | 0.72 | MAPT (0.43) | KCNH2GRM5MAPT | |
| SCHEMBL29096090 | 0.71 | KCNH2 (0.44) | KCNH2GRM5PTGDR2MAPTCYP3A4 | |
| SCHEMBL30597666 | 0.71 | KCNH2 (0.44) | KCNH2GRM5PTGDR2MAPTCYP3A4 | |
| SCHEMBL27343866 | 0.69 | KCNH2 (0.48) | KCNH2GRM5PTGDR2FFAR1CYP3A4 | |
| SCHEMBL4448140 | 0.69 | KCNH2 (0.61) | KCNH2GRM5PTGDR2FFAR1 | |
| SCHEMBL30707788 | 0.69 | KCNH2 (0.61) | KCNH2GRM5PTGDR2FFAR1 | |
| SCHEMBL12430909 | 0.66 | PTGDR2 (0.46) | KCNH2GRM5PTGDR2FFAR1CYP3A4 |
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-116969819-A | Method for realizing visible light-induced intramolecular alkynyl migration of 1, 4-eneyne compound and realizing unactivated olefin difunctional | 哈尔滨工业大学 | 2023-10-31 | — | — | CN | disclosed |