Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | TACR1 | P25103 | 12/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | TDP2 | O95551 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3934009 | 0.86 | TACR1 (0.50) | TACR1SLC6A4KCNH2 | |
| SCHEMBL3926025 | 0.78 | TACR1 (0.52) | TACR1SLC6A4KCNH2 | |
| SCHEMBL3928326 | 0.77 | TACR1 (0.39) | TACR1SLC6A4KCNH2 | |
| SCHEMBL3921923 | 0.76 | TACR1 (0.38) | TACR1SLC6A4KCNH2 | |
| SCHEMBL4023476 | 0.75 | TACR1 (0.45) | TACR1SLC6A4KCNH2 | |
| SCHEMBL3923578 | 0.72 | TACR1 (0.52) | TACR1SLC6A4KCNH2 | |
| SCHEMBL3934126 | 0.69 | TACR1 (0.43) | TACR1SLC6A4KCNH2 | |
| SCHEMBL4020760 | 0.69 | TACR1 (0.56) | TACR1SLC6A4KCNH2 | |
| SCHEMBL3935056 | 0.69 | CYP2D6 (0.30) | SLC6A4KCNH2 | |
| SCHEMBL5592060 | 0.68 | TACR1 (0.66) | 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 |