Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 19/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 14/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 14/20 | 0.39 |
| ▸ | RORC | P51449 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3923824 | 0.88 | TACR1 (0.41) | TACR1SLC6A4KCNH2 | |
| SCHEMBL3923578 | 0.85 | TACR1 (0.52) | TACR1SLC6A4KCNH2 | |
| SCHEMBL2430462 | 0.83 | TACR1 (0.47) | TACR1SLC6A4KCNH2RORC | |
| SCHEMBL3928378 | 0.82 | TACR1 (0.53) | TACR1SLC6A4KCNH2RORC | |
| SCHEMBL4027722 | 0.78 | TACR1 (0.55) | TACR1SLC6A4KCNH2 | |
| SCHEMBL14541562 | 0.76 | TACR1 (0.84) | TACR1SLC6A4 | |
| SCHEMBL3925943 | 0.75 | TACR1 (0.46) | TACR1SLC6A4KCNH2RORC | |
| SCHEMBL4018875 | 0.75 | TACR1 (0.64) | TACR1SLC6A4KCNH2 | |
| SCHEMBL13961556 | 0.74 | TACR1 (0.47) | TACR1SLC6A4KCNH2RORC | |
| SCHEMBL13404403 | 0.74 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2009009411-A1 | SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-01-15 | — | — | WO | disclosed |