Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL3936703 | 0.87 | TACR1 (0.47) | TACR1SLC6A4KCNH2 | |
| SCHEMBL2428697 | 0.81 | TACR1 (0.31) | TACR1SLC6A4KCNH2 | |
| SCHEMBL3923717 | 0.76 | TACR1 (0.32) | TACR1SLC6A4KCNH2 | |
| SCHEMBL3925993 | 0.75 | TACR1 (0.33) | TACR1SLC6A4KCNH2 | |
| SCHEMBL3928326 | 0.72 | TACR1 (0.39) | TACR1SLC6A4KCNH2 | |
| SCHEMBL3935056 | 0.70 | CYP2D6 (0.30) | SLC6A4KCNH2 | |
| SCHEMBL2427829 | 0.69 | TACR1 (0.42) | TACR1SLC6A4KCNH2 | |
| SCHEMBL2427832 | 0.69 | TACR1 (0.42) | TACR1SLC6A4KCNH2 | |
| SCHEMBL3927950 | 0.68 | HTR1A (0.31) | SLC6A4 | |
| SCHEMBL3926137 | 0.68 | TACR1 (0.30) | 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 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 |