Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 10/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL3926025 | 0.89 | TACR1 (0.52) | TACR1SLC6A4KCNH2 | |
| SCHEMBL3926028 | 0.86 | MAOB (0.39) | TACR1SLC6A4KCNH2 | |
| SCHEMBL3923578 | 0.83 | TACR1 (0.52) | TACR1SLC6A4KCNH2 | |
| SCHEMBL2423425 | 0.79 | TACR1 (0.45) | TACR1SLC6A4KCNH2 | |
| SCHEMBL3933794 | 0.76 | TACR1 (0.54) | TACR1SLC6A4KCNH2 | |
| SCHEMBL3928971 | 0.74 | TACR1 (0.50) | TACR1SLC6A4KCNH2 | |
| SCHEMBL3928378 | 0.70 | TACR1 (0.53) | TACR1SLC6A4KCNH2 | |
| SCHEMBL3592220 | 0.70 | TACR1 (0.72) | TACR1SLC6A4 | |
| SCHEMBL2427682 | 0.70 | TACR1 (0.45) | TACR1SLC6A4KCNH2 | |
| SCHEMBL3923824 | 0.70 | TACR1 (0.41) | 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 |