Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 4/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.52 |
| ▸ | ADK | P55263 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 3/20 | 0.48 |
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | CA9 | Q16790 | 3/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | ACACB | O00763 | 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 | |
|---|---|---|---|---|
| SCHEMBL20015814 | 0.86 | LMNA (0.57) | GRM5KCNH2ADKCYP2A6LMNA | |
| SCHEMBL719360 | 0.86 | LMNA (0.57) | GRM5KCNH2ADKCYP2A6LMNA | |
| SCHEMBL4457730 | 0.86 | GRM5 (0.64) | GRM5KCNH2CA12CA2CA9 | |
| SCHEMBL9445826 | 0.86 | GRM5 (0.64) | GRM5KCNH2CA12CA2CA9 | |
| Charcoal, Activated SCHEMBL31286310 | 0.83 | KCNH2 (0.54) | GRM5KCNH2ADKCYP2A6LMNA | |
| SCHEMBL9715647 | 0.83 | GRM5 (0.61) | GRM5KCNH2CA12CA2CA9 | |
| SCHEMBL12679 | 0.83 | — | — | |
| SCHEMBL28318341 | 0.83 | CES2 (0.62) | CA2CA9CA1CES2CES1 | |
| SCHEMBL6203955 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL8996220 | 0.80 | — | — |
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-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-113563150-B | Method for selectively synthesizing cis-olefin and trans-olefin by catalyzing alkyne semi-reduction through palladium on hydrogen supplied by water | 南通大学 | 2022-09-02 | — | — | 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 |