Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 12/20 | 0.47 |
| ▸ | NOS3 | P29474 | 11/20 | 0.47 |
| ▸ | NOS1 | P29475 | 11/20 | 0.47 |
| ▸ | NOS2 | P35228 | 9/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.47 |
| ▸ | HTR1B | P28222 | 5/20 | 0.42 |
| ▸ | HTR1D | P28221 | 4/20 | 0.42 |
| ▸ | HTR1A | P08908 | 2/20 | 0.42 |
| ▸ | HTR1F | P30939 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2908452 | 1.00 | SLC6A2 (0.47) | SLC6A2NOS3NOS1NOS2KCNH2 | |
| SCHEMBL1122007 | 0.91 | NOS3 (0.52) | SLC6A2NOS3NOS1NOS2KCNH2 | |
| SCHEMBL2911117 | 0.89 | NOS3 (0.47) | SLC6A2NOS3NOS1NOS2KCNH2 | |
| SCHEMBL13776968 | 0.89 | SLC6A2 (0.43) | SLC6A2NOS3NOS1NOS2KCNH2 | |
| SCHEMBL2919909 | 0.85 | SLC6A2 (0.45) | SLC6A2NOS3NOS1NOS2KCNH2 | |
| SCHEMBL2263052 | 0.83 | NOS3 (0.46) | SLC6A2NOS3NOS1NOS2KCNH2 | |
| SCHEMBL2931173 | 0.83 | NOS3 (0.66) | SLC6A2NOS3NOS1NOS2KCNH2 | |
| SCHEMBL4143576 | 0.83 | NOS3 (0.66) | SLC6A2NOS3NOS1NOS2KCNH2 | |
| SCHEMBL13846453 | 0.83 | NOS3 (0.51) | SLC6A2NOS3NOS1NOS2KCNH2 | |
| SCHEMBL13846432 | 0.82 | NOS3 (0.49) | SLC6A2NOS3NOS1NOS2KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2220074-A1 | 3,5-SUBSTITUTED INDOLE COMPOUNDS HAVING NOS AND NOREPINEPHRINE REUPTAKE INHIBITORY ACTIVITY | Neuraxon, INC. (CA) | 2010-08-25 | — | — | EP | disclosed |
| WO-2009062318-A1 | 3,5-SUBSTITUTED INDOLE COMPOUNDS HAVING NOS AND NOREPINEPHRINE REUPTAKE INHIBITORY ACTIVITY | NEURAXON, INC. (CA) | 2009-05-22 | — | — | WO | disclosed |