Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | NOS1 | P29475 | 5/20 | 0.38 |
| ▸ | NOS2 | P35228 | 5/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 3/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 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 | |
|---|---|---|---|---|
| SCHEMBL9739568 | 0.79 | CYP1A2 (0.48) | CYP1A2NOS1NOS2SIGMAR1BCHE | |
| SCHEMBL4839413 | 0.77 | CYP1A2 (0.39) | CYP1A2EPHX1CHRNB2CHRNA7CHRNA4 | |
| SCHEMBL11552441 | 0.77 | NOS3 (0.36) | CYP1A2NOS1NOS2NOS3 | |
| SCHEMBL1839528 | 0.75 | NOS1 (0.42) | CYP1A2NOS1NOS2NOS3 | |
| SCHEMBL25190402 | 0.74 | NPC1 (0.47) | CYP1A2NOS1NOS2ALDH1A1 | |
| SCHEMBL4324112 | 0.74 | NPC1 (0.47) | CYP1A2NOS1NOS2ALDH1A1 | |
| SCHEMBL486850 | 0.74 | NPC1 (0.47) | CYP1A2NOS1NOS2ALDH1A1 | |
| SCHEMBL13725781 | 0.74 | NPC1 (0.47) | CYP1A2NOS1NOS2ALDH1A1 | |
| SCHEMBL4441775 | 0.74 | NPC1 (0.47) | CYP1A2NOS1NOS2ALDH1A1 | |
| SCHEMBL9158941 | 0.74 | NPC1 (0.47) | CYP1A2NOS1NOS2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2691413-B1 | MACROCYCLIC COMPOUNDS AND METHODS FOR THEIR PRODUCTION | NEUROVIVE PHARMACEUTICAL AB (SE) | 2014-12-24 | — | — | EP | disclosed |