Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 20/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL1006738 | 0.90 | HTR3A (0.68) | HTR3AKCNH2CYP2C19CYP3A4 | |
| Hydrochloric Acid SCHEMBL1004980 | 0.89 | HTR3A (0.67) | HTR3AKCNH2CYP2C19CYP3A4 | |
| SCHEMBL8224189 | 0.84 | HTR3A (0.55) | HTR3AKCNH2CYP2C19CYP3A4 | |
| SCHEMBL1005053 | 0.81 | HTR3A (0.66) | HTR3AKCNH2CYP2C19CYP3A4 | |
| Hydrochloric Acid SCHEMBL1006636 | 0.81 | HTR3A (0.65) | HTR3AKCNH2CYP2C19CYP3A4 | |
| SCHEMBL8222666 | 0.80 | HTR3A (0.69) | HTR3AKCNH2CYP2C19CYP3A4 | |
| SCHEMBL8222503 | 0.80 | HTR3A (0.71) | HTR3AKCNH2CYP2C19CYP3A4 | |
| SCHEMBL1007596 | 0.79 | HTR3A (0.68) | HTR3AKCNH2CYP2C19CYP3A4 | |
| SCHEMBL1008088 | 0.79 | HTR3A (0.67) | HTR3AKCNH2CYP2C19CYP3A4 | |
| Hydrochloric Acid SCHEMBL1004864 | 0.79 | HTR3A (0.67) | HTR3AKCNH2CYP2C19CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008019372-A2 | 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS | ALBANY MOLECULAR RESEARCH, INC. (US) | 2008-02-14 | — | — | WO | disclosed |