Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.58 |
| ▸ | GRM5 | P41594 | 8/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.46 |
| ▸ | HAO1 | Q9UJM8 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | PTPRC | P08575 | 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 | |
|---|---|---|---|---|
| SCHEMBL30081497 | 1.00 | KCNH2 (0.58) | KCNH2GRM5CYP2C9PTGDR2HAO1 | |
| Ammonia Solution, Strong SCHEMBL5555414 | 0.98 | KCNH2 (0.56) | KCNH2GRM5CYP2C9PTGDR2HAO1 | |
| SCHEMBL4562631 | 0.91 | KCNH2 (0.67) | KCNH2GRM5CYP2C9PTGDR2HAO1 | |
| SCHEMBL30707869 | 0.91 | KCNH2 (0.67) | KCNH2GRM5CYP2C9PTGDR2HAO1 | |
| SCHEMBL717449 | 0.88 | KCNH2 (0.60) | KCNH2GRM5CYP2C9PTGDR2HAO1 | |
| Charcoal, Activated SCHEMBL31286308 | 0.88 | KCNH2 (0.64) | KCNH2GRM5CYP2C9PTGDR2HAO1 | |
| SCHEMBL701787 | 0.81 | KCNH2 (0.53) | KCNH2GRM5HAO1APP | |
| SCHEMBL717633 | 0.80 | APP (0.67) | KCNH2GRM5CYP2C9PTGDR2APP | |
| SCHEMBL20015814 | 0.80 | LMNA (0.57) | KCNH2GRM5PTGDR2MAOBAPP | |
| SCHEMBL719360 | 0.80 | LMNA (0.57) | KCNH2GRM5PTGDR2MAOBAPP |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113443952-B | Method for selectively synthesizing cis-olefin and trans-olefin by catalyzing alkyne semi-reduction through iridium with hydrogen supplied by water | 南通大学 | 2022-11-04 | — | — | CN | disclosed |
| CN-113443952-A | Method for selectively synthesizing cis-olefin and trans-olefin by catalyzing alkyne semi-reduction through iridium with hydrogen supplied by water | 南通大学 | 2021-09-28 | — | — | CN | disclosed |