Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 15/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 14/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 14/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.34 |
| ▸ | CCR5 | P51681 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3923714 | 0.89 | TACR1 (0.46) | TACR1SLC6A4KCNH2 | |
| SCHEMBL3938855 | 0.83 | TACR1 (0.36) | TACR1SLC6A4KCNH2S1PR1 | |
| SCHEMBL2428238 | 0.82 | TACR1 (0.36) | TACR1SLC6A4KCNH2CCR5 | |
| SCHEMBL3930896 | 0.80 | TACR1 (0.41) | TACR1SLC6A4KCNH2 | |
| SCHEMBL3937389 | 0.78 | TACR1 (0.40) | TACR1SLC6A4KCNH2CCR5 | |
| SCHEMBL3928416 | 0.78 | TACR1 (0.37) | TACR1SLC6A4KCNH2CCR5 | |
| SCHEMBL3926136 | 0.77 | TACR1 (0.36) | TACR1SLC6A4KCNH2 | |
| SCHEMBL3925795 | 0.77 | TACR1 (0.46) | TACR1SLC6A4KCNH2 | |
| SCHEMBL3934661 | 0.76 | TACR1 (0.35) | TACR1SLC6A4KCNH2S1PR1 | |
| SCHEMBL3926125 | 0.76 | TACR1 (0.38) | 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 |