Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 3/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17047151 | 1.00 | CHRNB2 (0.39) | CHRNB2CHRNA4CYP1A2CYP2D6L3MBTL1 | |
| SCHEMBL26616936 | 0.81 | GPR3 (0.41) | CYP1A2CYP2D6 | |
| SCHEMBL31319420 | 0.81 | GPR3 (0.41) | CYP1A2CYP2D6 | |
| SCHEMBL20449225 | 0.81 | GPR3 (0.41) | CYP1A2CYP2D6 | |
| SCHEMBL23877877 | 0.81 | GPR3 (0.41) | CYP1A2CYP2D6 | |
| SCHEMBL23552054 | 0.81 | GPR3 (0.41) | CYP1A2CYP2D6 | |
| SCHEMBL30271546 | 0.75 | CYP11B1 (0.33) | — | |
| SCHEMBL17047082 | 0.75 | PNMT (0.40) | NPC1 | |
| SCHEMBL2376744 | 0.74 | CHRNB2 (0.48) | CHRNB2CHRNA4CYP1A2CYP2D6L3MBTL1 | |
| SCHEMBL2286251 | 0.74 | ALDH1A1 (0.53) | CYP1A2L3MBTL1TDP1NPC1RAB9A |
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-3110802-A1 | ETHYNYL DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2017-01-04 | — | — | EP | disclosed |
| WO-2015128307-A1 | ETHYNYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2015-09-03 | — | — | WO | disclosed |