Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 19/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 19/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 19/20 | 0.37 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3926136 | 0.91 | TACR1 (0.36) | TACR1SLC6A4KCNH2 | |
| SCHEMBL3935765 | 0.90 | TACR1 (0.47) | TACR1SLC6A4KCNH2 | |
| SCHEMBL3935027 | 0.88 | TACR1 (0.38) | TACR1SLC6A4KCNH2 | |
| SCHEMBL3925634 | 0.87 | TACR1 (0.34) | TACR1SLC6A4KCNH2 | |
| SCHEMBL2423362 | 0.83 | TACR1 (0.34) | TACR1SLC6A4KCNH2CCR5 | |
| SCHEMBL3937389 | 0.83 | TACR1 (0.40) | TACR1SLC6A4KCNH2CCR5 | |
| SCHEMBL3934912 | 0.81 | TACR1 (0.42) | TACR1SLC6A4KCNH2CCR5 | |
| SCHEMBL3934661 | 0.81 | TACR1 (0.35) | TACR1SLC6A4KCNH2 | |
| SCHEMBL3923210 | 0.81 | TACR1 (0.40) | TACR1SLC6A4KCNH2 | |
| SCHEMBL3926135 | 0.81 | TACR1 (0.45) | 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 |