Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.31 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3925993 | 0.84 | TACR1 (0.33) | TACR1SLC6A4KCNH2 | |
| SCHEMBL3923714 | 0.77 | TACR1 (0.46) | TACR1SLC6A4KCNH2 | |
| SCHEMBL3935770 | 0.77 | — | — | |
| SCHEMBL3934563 | 0.76 | TACR1 (0.33) | TACR1SLC6A4KCNH2 | |
| SCHEMBL3926137 | 0.76 | TACR1 (0.30) | TACR1SLC6A4KCNH2 | |
| SCHEMBL3928326 | 0.76 | TACR1 (0.39) | TACR1SLC6A4KCNH2 | |
| SCHEMBL3923318 | 0.75 | TACR1 (0.35) | TACR1SLC6A4KCNH2 | |
| SCHEMBL3924647 | 0.71 | MEN1 (0.33) | TACR1SLC6A4KCNH2 | |
| SCHEMBL3927950 | 0.71 | HTR1A (0.31) | SLC6A4 | |
| SCHEMBL3930993 | 0.70 | — | — |
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 2 patents. 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 | claimed |
| WO-2009009411-A1 | SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-01-15 | — | — | WO | disclosed |