Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4431719 | 0.89 | SLC6A2 (0.31) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL3310259 | 0.82 | ALDH1A1 (0.37) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL4752664 | 0.82 | ALDH1A1 (0.37) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL3307455 | 0.79 | HPGD (0.40) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4748908 | 0.77 | DRD1 (0.33) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL3308477 | 0.77 | DRD1 (0.33) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL4433208 | 0.76 | ABCB11 (0.36) | SLC6A4 | |
| SCHEMBL4440903 | 0.73 | PARP1 (0.41) | SLC6A4 | |
| SCHEMBL4433993 | 0.70 | PARP1 (0.41) | SLC6A4 | |
| SCHEMBL4432464 | 0.70 | DRD1 (0.33) | CYP3A4CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2132193-B1 | SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS | BOEHRINGER INGELHEIM INT (DE) | 2012-10-24 | — | — | EP | disclosed |
| EP-2132193-A1 | SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS | Boehringer Ingelheim International GmbH (DE) | 2009-12-16 | — | — | EP | disclosed |
| WO-2008116881-A1 | SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-10-02 | — | — | WO | disclosed |