Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.34 |
| ▸ | HRH2 | P25021 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL684126 | 0.79 | HRH3 (0.41) | SMN1; SMN2NOS3NOS1NOS2HRH3 | |
| SCHEMBL8434577 | 0.79 | HRH3 (0.41) | SMN1; SMN2NOS3NOS1NOS2HRH3 | |
| SCHEMBL734698 | 0.79 | HRH3 (0.41) | SMN1; SMN2NOS3NOS1NOS2HRH3 | |
| SCHEMBL12309781 | 0.76 | NOS3 (0.36) | SMN1; SMN2NOS3NOS1NOS2HRH3 | |
| SCHEMBL15668110 | 0.74 | HRH3 (0.43) | SMN1; SMN2HRH3SIGMAR1OPRM1 | |
| SCHEMBL8418349 | 0.74 | LTA4H (0.44) | SMN1; SMN2HRH3SIGMAR1 | |
| SCHEMBL14155716 | 0.74 | LTA4H (0.44) | SMN1; SMN2HRH3SIGMAR1 | |
| SCHEMBL8422257 | 0.74 | DDR1 (0.37) | SMN1; SMN2HRH3 | |
| SCHEMBL13738460 | 0.74 | HRH3 (0.43) | SMN1; SMN2HRH3SIGMAR1OPRM1 | |
| SCHEMBL14155733 | 0.74 | LTA4H (0.44) | SMN1; SMN2HRH3SIGMAR1 |
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-104817549-B | Evil azole compounds with antifungal activity and its preparation method and application | 河南师范大学 | 2017-08-11 | — | — | CN | disclosed |