Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 12/20 | 0.77 |
| ▸ | SLC6A4 | P31645 | 9/20 | 0.77 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL5796290 | 0.94 | TACR1 (0.80) | TACR1SLC6A4KCNH2 | |
| SCHEMBL1388633 | 0.89 | TACR1 (0.78) | TACR1SLC6A4KCNH2 | |
| Hydrochloric Acid SCHEMBL8113233 | 0.88 | TACR1 (0.77) | TACR1SLC6A4KCNH2 | |
| SCHEMBL5794588 | 0.87 | TACR1 (1.00) | TACR1SLC6A4KCNH2 | |
| SCHEMBL3896842 | 0.85 | TACR1 (1.00) | TACR1SLC6A4KCNH2 | |
| SCHEMBL3886400 | 0.84 | TACR1 (1.00) | TACR1SLC6A4KCNH2 | |
| SCHEMBL1388428 | 0.82 | TACR1 (1.00) | TACR1SLC6A4KCNH2 | |
| Hydrochloric Acid SCHEMBL8113820 | 0.81 | TACR1 (0.98) | TACR1SLC6A4KCNH2 | |
| SCHEMBL8920152 | 0.81 | TACR1 (1.00) | TACR1SLC6A4KCNH2 | |
| SCHEMBL1388258 | 0.81 | TACR1 (1.00) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2006014703-A2 | HOMOPIPERDININE DERIVATIVES AS NK-1 ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-02-09 | — | — | WO | disclosed |