Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 11/20 | 0.65 |
| ▸ | CHRNA4 | P43681 | 10/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.49 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.45 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.45 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.45 |
| ▸ | CHRNG | P07510 | 1/20 | 0.45 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.45 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.45 |
| ▸ | CHRND | Q07001 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL2186420 | 0.94 | CHRNB2 (0.73) | CHRNB2CHRNA4CHRNA6CHRNA3CHRNA7 | |
| Trifluoroacetic Acid SCHEMBL3356720 | 0.86 | CHRNB2 (0.61) | CHRNB2CHRNA4CHRNA6CHRNA3 | |
| SCHEMBL3357814 | 0.82 | CHRNB2 (0.69) | CHRNB2CHRNA4CHRNA6 | |
| SCHEMBL7927844 | 0.81 | CHRNB2 (0.61) | CHRNB2CHRNA4CHRNA6CHRNA3CHRNB4 | |
| SCHEMBL3358356 | 0.81 | CHRNB2 (0.61) | CHRNB2CHRNA4CHRNA6CHRNA3CHRNB4 | |
| SCHEMBL13307470 | 0.80 | CHRNB2 (0.66) | CHRNB2CHRNA4CHRNA6CHRNA3CHRNB4 | |
| SCHEMBL2185930 | 0.80 | CHRNB2 (0.66) | CHRNB2CHRNA4CHRNA6CHRNA3CHRNB4 | |
| SCHEMBL2190662 | 0.80 | CHRNB2 (0.66) | CHRNB2CHRNA4CHRNA6CHRNA3CHRNB4 | |
| SCHEMBL6587381 | 0.80 | CHRNB2 (1.00) | CHRNB2CHRNA4KDM4ECYP1A2CYP2D6 | |
| SCHEMBL14941047 | 0.80 | CHRNB2 (1.00) | CHRNB2CHRNA4KDM4ECYP1A2CYP2D6 |
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-2342192-A2 | NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF | Psychogenics Inc. (US) | 2011-07-13 | — | — | EP | disclosed |
| WO-2010045212-A2 | NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF | PSYCHOGENICS, INCSTATUTS (US) | 2010-04-22 | — | — | WO | disclosed |