Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 20/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 9/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3935350 | 0.90 | TACR1 (0.45) | TACR1SLC6A4KCNH2 | |
| SCHEMBL3931010 | 0.84 | TACR1 (0.35) | TACR1SLC6A4KCNH2 | |
| SCHEMBL2430705 | 0.83 | TACR1 (0.49) | TACR1SLC6A4KCNH2 | |
| SCHEMBL3925072 | 0.83 | TACR1 (0.46) | TACR1SLC6A4KCNH2 | |
| SCHEMBL12290304 | 0.82 | TACR1 (0.58) | TACR1SLC6A4KCNH2 | |
| SCHEMBL3925967 | 0.80 | TACR1 (0.43) | TACR1SLC6A4KCNH2 | |
| SCHEMBL4169137 | 0.78 | TACR1 (0.43) | TACR1SLC6A4KCNH2 | |
| SCHEMBL2426590 | 0.76 | TACR1 (0.42) | TACR1 | |
| SCHEMBL2430916 | 0.76 | TACR1 (0.50) | TACR1SLC6A4KCNH2 | |
| SCHEMBL2431153 | 0.76 | TACR1 (0.50) | TACR1 |
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-2009009411-A1 | SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-01-15 | — | — | WO | disclosed |