Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 18/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 18/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 18/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 16/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.53 |
| ▸ | TACR1 | P25103 | 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 | |
|---|---|---|---|---|
| SCHEMBL980900 | 0.84 | SLC6A2 (0.55) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL2777923 | 0.79 | SLC6A2 (0.55) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| Trifluoroacetic Acid SCHEMBL980899 | 0.74 | SLC6A2 (0.83) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL986649 | 0.71 | SLC6A4 (1.00) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL982193 | 0.70 | SLC6A2 (0.51) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL984751 | 0.70 | SLC6A2 (0.76) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL980786 | 0.70 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL984544 | 0.67 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL982643 | 0.66 | SLC6A2 (0.82) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| Hydrochloric Acid SCHEMBL984497 | 0.66 | 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 |