Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 2/20 | 0.70 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.70 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.69 |
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 | |
|---|---|---|---|---|
| SCHEMBL13404183 | 0.92 | TACR1 (0.74) | TACR1SLC6A4KCNH2 | |
| SCHEMBL13404182 | 0.91 | TACR1 (0.72) | TACR1SLC6A4KCNH2 | |
| SCHEMBL13404119 | 0.91 | TACR1 (0.75) | TACR1SLC6A4KCNH2 | |
| SCHEMBL13404157 | 0.89 | TACR1 (0.72) | TACR1SLC6A4 | |
| SCHEMBL13404188 | 0.88 | TACR1 (0.67) | TACR1SLC6A4 | |
| SCHEMBL13404177 | 0.87 | TACR1 (0.66) | TACR1SLC6A4KCNH2 | |
| SCHEMBL13404053 | 0.87 | TACR1 (0.66) | TACR1SLC6A4KCNH2 | |
| SCHEMBL13404088 | 0.87 | TACR1 (0.80) | TACR1SLC6A4 | |
| SCHEMBL13404122 | 0.86 | TACR1 (0.74) | TACR1SLC6A4KCNH2 | |
| SCHEMBL13404136 | 0.86 | TACR1 (0.74) | TACR1SLC6A4KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8383821-B2 | NK-1 and serotonin transporter inhibitors | BRISTOL-MEYERS SQUIBB COMPANY (US) | 2013-02-26 | — | — | US | disclosed |