Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP24A1 | Q07973 | 6/20 | 0.66 |
| ▸ | CYP26A1 | O43174 | 4/20 | 0.66 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.65 |
| ▸ | CYP27A1 | Q02318 | 3/20 | 0.59 |
| ▸ | HTR1A | P08908 | 2/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL7244157 | 1.00 | CYP24A1 (0.66) | CYP24A1CYP26A1CYP19A1CYP27A1HTR1A | |
| SCHEMBL15874727 | 1.00 | CYP24A1 (0.66) | CYP24A1CYP26A1CYP19A1CYP27A1HTR1A | |
| SCHEMBL29679457 | 1.00 | CYP24A1 (0.66) | CYP24A1CYP26A1CYP19A1CYP27A1HTR1A | |
| SCHEMBL19748689 | 0.86 | CYP19A1 (0.63) | CYP24A1CYP26A1CYP19A1SIGMAR1 | |
| SCHEMBL15874605 | 0.86 | CYP24A1 (0.60) | CYP24A1CYP26A1CYP19A1CYP27A1HTR1A | |
| SCHEMBL7243310 | 0.86 | CYP24A1 (0.60) | CYP24A1CYP26A1CYP19A1CYP27A1HTR1A | |
| SCHEMBL30275056 | 0.85 | CYP19A1 (0.80) | CYP26A1CYP19A1HTR1ASIGMAR1 | |
| SCHEMBL3761876 | 0.85 | CYP19A1 (0.80) | CYP26A1CYP19A1HTR1ASIGMAR1 | |
| SCHEMBL28733987 | 0.85 | CYP19A1 (0.80) | CYP26A1CYP19A1HTR1ASIGMAR1 | |
| SCHEMBL7249809 | 0.85 | CYP19A1 (0.80) | CYP24A1CYP26A1CYP19A1CYP27A1SIGMAR1 |
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-112694449-B | Asymmetric hydrogenation of ketone and alpha, beta-unsaturated ketone catalyzed by nonmetal catalyst | 中国科学院化学研究所 | 2022-05-24 | — | — | CN | disclosed |
| CN-112694449-A | Novel nonmetal catalyst for catalyzing asymmetric hydrogenation of ketone and alpha, beta-unsaturated ketone | 中国科学院化学研究所 | 2021-04-23 | — | — | CN | disclosed |