Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.64 |
| ▸ | GRM5 | P41594 | 10/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | PTGES | O14684 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4562631 | 0.97 | KCNH2 (0.67) | KCNH2GRM5CYP2C9PTGDR2MAOB | |
| SCHEMBL30707869 | 0.97 | KCNH2 (0.67) | KCNH2GRM5CYP2C9PTGDR2MAOB | |
| SCHEMBL717449 | 0.90 | KCNH2 (0.60) | KCNH2GRM5CYP2C9PTGDR2MAOB | |
| SCHEMBL28630419 | 0.88 | KCNH2 (0.58) | KCNH2GRM5CYP2C9PTGDR2MAOB | |
| SCHEMBL30081497 | 0.88 | KCNH2 (0.58) | KCNH2GRM5CYP2C9PTGDR2MAOB | |
| Ammonia Solution, Strong SCHEMBL5555414 | 0.86 | KCNH2 (0.56) | KCNH2GRM5CYP2C9PTGDR2MAOB | |
| SCHEMBL25490062 | 0.85 | KCNH2 (0.55) | KCNH2GRM5CYP2C9PTGDR2MAOB | |
| SCHEMBL29978649 | 0.85 | KCNH2 (0.55) | KCNH2GRM5CYP2C9PTGDR2MAOB | |
| SCHEMBL718734 | 0.85 | KCNH2 (0.55) | KCNH2GRM5CYP2C9PTGDR2MAOB | |
| SCHEMBL28841296 | 0.84 | KCNH2 (0.59) | KCNH2GRM5MAOBCYP2D6 |
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-119346167-A | Catalytic system and method for synthesizing diaryl acetylene from calcium carbide and iodo aromatic hydrocarbon | 石河子大学 | 2025-01-24 | — | — | CN | disclosed |