Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.30 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.30 |
| ▸ | AR | P10275 | 1/20 | 0.30 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.30 |
| ▸ | RXRA | P19793 | 1/20 | 0.30 |
| ▸ | RXRB | P28702 | 1/20 | 0.30 |
| ▸ | RXRG | P48443 | 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 | |
|---|---|---|---|---|
| SCHEMBL4436567 | 0.86 | ALDH1A1 (0.33) | ALDH1A1ABCB11CHRM2ADORA3AR | |
| SCHEMBL3314687 | 0.78 | ALDH1A1 (0.45) | ALDH1A1 | |
| SCHEMBL3309036 | 0.75 | NPC1 (0.49) | ALDH1A1 | |
| SCHEMBL4433993 | 0.74 | PARP1 (0.41) | ALDH1A1 | |
| SCHEMBL16712260 | 0.74 | ALDH1A1 (0.53) | ALDH1A1 | |
| SCHEMBL16712256 | 0.71 | ALDH1A1 (0.41) | ALDH1A1 | |
| SCHEMBL4440903 | 0.71 | PARP1 (0.41) | ALDH1A1ABCB11CHRM2ADORA3AR | |
| SCHEMBL4433208 | 0.71 | ABCB11 (0.36) | ALDH1A1ABCB11CHRM2ADORA3AR | |
| SCHEMBL4428249 | 0.70 | OPRM1 (0.41) | AKR1C3OPRM1 | |
| SCHEMBL4433487 | 0.70 | OPRM1 (0.41) | AKR1C3OPRM1 |
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 |