Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 1/20 | 0.61 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.61 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL13404052 | 0.94 | TACR1 (0.69) | TACR1SLC6A4KCNH2 | |
| SCHEMBL14723661 | 0.84 | TACR1 (0.58) | TACR1SLC6A4 | |
| SCHEMBL14723659 | 0.83 | TACR1 (0.65) | TACR1SLC6A4 | |
| SCHEMBL14723667 | 0.81 | TACR1 (0.67) | TACR1SLC6A4KCNH2 | |
| SCHEMBL3583414 | 0.79 | TACR1 (0.70) | TACR1SLC6A4 | |
| SCHEMBL14723666 | 0.78 | TACR1 (0.60) | TACR1SLC6A4 | |
| SCHEMBL13404057 | 0.78 | TACR1 (0.67) | TACR1SLC6A4 | |
| SCHEMBL14723664 | 0.77 | TACR1 (0.58) | TACR1SLC6A4 | |
| SCHEMBL13404549 | 0.77 | TACR1 (0.67) | TACR1SLC6A4 | |
| SCHEMBL3599336 | 0.76 | TACR1 (0.77) | TACR1SLC6A4 |
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 |