Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 14/20 | 0.64 |
| ▸ | SLC6A4 | P31645 | 14/20 | 0.64 |
| ▸ | SLC6A3 | Q01959 | 14/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 14/20 | 0.64 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.51 |
| ▸ | GPR183 | P32249 | 5/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL982962 | 0.93 | CYP2D6 (0.52) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL984751 | 0.91 | SLC6A2 (0.76) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL980898 | 0.79 | CYP2D6 (0.69) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL983811 | 0.79 | CYP2D6 (0.69) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL984544 | 0.78 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| Trifluoroacetic Acid SCHEMBL982191 | 0.77 | SLC6A2 (0.74) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL980803 | 0.76 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL985282 | 0.76 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL982643 | 0.76 | SLC6A2 (0.82) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL982965 | 0.76 | SLC6A2 (0.81) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 |
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-2257545-A1 | PYRROLIDINYL DERIVATIVES AND USES THEREOF | F. Hoffmann-La Roche AG (CH) | 2010-12-08 | — | — | EP | disclosed |
| WO-2009115427-A1 | PYRROLIDINYL DERIVATIVES AND USES THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2009-09-24 | — | — | WO | disclosed |