Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 7/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.37 |
| ▸ | CCR5 | P51681 | 5/20 | 0.37 |
| ▸ | CNR2 | P34972 | 2/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 2/20 | 0.35 |
| ▸ | JAK1 | P23458 | 2/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3935761 | 0.89 | JAK2 (0.40) | TACR1SLC6A4KCNH2JAK2JAK1 | |
| SCHEMBL3937761 | 0.85 | TACR1 (0.38) | TACR1SLC6A4KCNH2CCR5CNR2 | |
| SCHEMBL2427977 | 0.84 | CCR5 (0.37) | TACR1CCR5CNR2CNR1JAK2 | |
| SCHEMBL2427974 | 0.84 | CCR5 (0.37) | TACR1CCR5CNR2CNR1JAK2 | |
| SCHEMBL3928416 | 0.83 | TACR1 (0.37) | TACR1SLC6A4KCNH2CCR5 | |
| SCHEMBL3934912 | 0.83 | TACR1 (0.42) | TACR1SLC6A4KCNH2CCR5CNR2 | |
| SCHEMBL3935027 | 0.80 | TACR1 (0.38) | TACR1SLC6A4KCNH2 | |
| SCHEMBL3924880 | 0.79 | ACACB (0.46) | TACR1SLC6A4KCNH2CCR5 | |
| SCHEMBL3938855 | 0.79 | TACR1 (0.36) | TACR1SLC6A4KCNH2 | |
| SCHEMBL3935765 | 0.79 | TACR1 (0.47) | 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 |