Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | PNMT | P11086 | 5/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.34 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
| ▸ | NQO2 | P16083 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2779601 | 0.83 | MTNR1A (0.39) | PNMTADRA2AADRA2BADRA2CMTNR1A | |
| SCHEMBL2777471 | 0.75 | PNMT (0.38) | PNMTADRA2AADRA2BADRA2CMTNR1A | |
| SCHEMBL6192806 | 0.74 | PNMT (0.37) | SLC6A4PNMTADRA2AADRA2BADRA2C | |
| SCHEMBL6192228 | 0.74 | PNMT (0.50) | CYP1A2CYP2D6PNMTADRA2AADRA2B | |
| SCHEMBL2778013 | 0.73 | PNMT (0.39) | CYP1A2CYP2D6SLC6A4DRD3OPRK1 | |
| SCHEMBL2321696 | 0.71 | HTR7 (0.38) | DRD3PNMTADRA2AADRA2BADRA2C | |
| SCHEMBL8652335 | 0.71 | MTNR1A (0.41) | PNMTADRA2AADRA2BADRA2CMTNR1A | |
| SCHEMBL12450081 | 0.71 | PNMT (0.35) | PNMTADRA2AADRA2BADRA2CMTNR1A | |
| SCHEMBL12450086 | 0.71 | PNMT (0.35) | PNMTADRA2AADRA2BADRA2CMTNR1A | |
| SCHEMBL16585592 | 0.70 | PNMT (0.45) | SLC6A4HTR2BPNMTADRA2AADRA2B |
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-2139886-A1 | QUINOLONE AND TETRAHYDROQUINOLINE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY | Neuraxon Inc. (CA) | 2010-01-06 | — | — | EP | disclosed |
| WO-2008116308-A1 | QUINOLONE AND TETRAHYDROQUINOLINE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY | NEURAXON, INC. (CA) | 2008-10-02 | — | — | WO | disclosed |