Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | LTA4H | P09960 | 9/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.48 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | SCN4A | P35499 | 1/20 | 0.44 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.43 |
| ▸ | BAX | Q07812 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.42 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21277361 | 0.83 | ALDH1A1 (0.47) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL28129946 | 0.81 | LTA4H (0.55) | LTA4HTSHRGSTP1NPC1RAB9A | |
| SCHEMBL720957 | 0.80 | ALDH1A1 (0.50) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL6406035 | 0.80 | LTA4H (0.75) | LTA4HTSHRGSTP1NPC1RAB9A | |
| SCHEMBL197414 | 0.80 | LTA4H (0.75) | LTA4HTSHRGSTP1NPC1RAB9A | |
| SCHEMBL2860844 | 0.80 | LTA4H (0.75) | LTA4HTSHRGSTP1NPC1RAB9A | |
| SCHEMBL7759460 | 0.79 | LTA4H (0.57) | LTA4HTSHRGSTP1NPC1RAB9A | |
| SCHEMBL28306614 | 0.78 | ALDH1A1 (0.47) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL9190364 | 0.78 | LTA4H (0.71) | LTA4HTSHRGSTP1NPC1RAB9A | |
| SCHEMBL21921128 | 0.78 | LTA4H (0.71) | LTA4HTSHRGSTP1NPC1RAB9A |
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-108727230-A | According to Shandong for Buddhist nun's intermediate and preparation method thereof | 上海创诺医药集团有限公司 | 2018-11-02 | — | — | CN | claimed |