Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 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 | |
|---|---|---|---|---|
| SCHEMBL2361887 | 0.79 | SLC6A2 (0.53) | CYP2A6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL984013 | 0.66 | SLC6A2 (0.65) | CYP2A6SLC6A2SLC6A4SLC6A3KCNH2 | |
| Hydrochloric Acid SCHEMBL984677 | 0.65 | SLC6A2 (0.64) | CYP2A6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL984326 | 0.61 | SLC6A2 (0.49) | SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL9431320 | 0.59 | CYP2A6 (0.46) | CYP2A6SLC6A2SLC6A4SLC6A3DYRK1A | |
| SCHEMBL317858 | 0.56 | CYP2A6 (0.50) | CYP2A6DYRK1A | |
| SCHEMBL8342108 | 0.56 | CYP2A6 (0.50) | CYP2A6DYRK1A | |
| SCHEMBL1426726 | 0.54 | SLC6A4 (0.40) | CYP2A6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL164774 | 0.54 | CYP2A6 (0.50) | CYP2A6DYRK1A | |
| SCHEMBL17010916 | 0.54 | CYP2A6 (0.52) | CYP2A6DYRK1A |
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-2257545-B1 | PYRROLIDINYL DERIVATIVES AND USES THEREOF | HOFFMANN LA ROCHE (CH) | 2011-08-31 | — | — | EP | disclosed |