Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 20/20 | 0.60 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL1007063 | 0.88 | HTR3A (0.76) | HTR3AKCNH2CYP2C19CYP3A4 | |
| Hydrochloric Acid SCHEMBL1006024 | 0.87 | HTR3A (0.75) | HTR3AKCNH2CYP2C19CYP3A4 | |
| SCHEMBL8224450 | 0.82 | HTR3A (0.59) | HTR3AKCNH2CYP2C19CYP3A4 | |
| SCHEMBL8222403 | 0.80 | HTR3A (0.61) | HTR3AKCNH2CYP2C19CYP3A4 | |
| SCHEMBL8222992 | 0.77 | HTR3A (0.66) | HTR3AKCNH2CYP2C19CYP3A4 | |
| SCHEMBL4317101 | 0.76 | HTR3A (0.78) | HTR3AKCNH2CYP2C19CYP3A4 | |
| SCHEMBL1005666 | 0.75 | HTR3A (1.00) | HTR3AKCNH2 | |
| SCHEMBL1005670 | 0.75 | HTR3A (1.00) | HTR3AKCNH2 | |
| SCHEMBL12854760 | 0.75 | HTR3A (0.96) | HTR3AKCNH2CYP2C19CYP3A4 | |
| SCHEMBL4308436 | 0.75 | HTR3A (1.00) | 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 |