Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM4 | P08173 | 3/20 | 0.36 |
| ▸ | JAK2 | O60674 | 7/20 | 0.36 |
| ▸ | JAK1 | P23458 | 7/20 | 0.36 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.36 |
| ▸ | ITGA5 | P08648 | 2/20 | 0.36 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.35 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.35 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.35 |
| ▸ | ITGAV | P06756 | 1/20 | 0.35 |
| ▸ | ITGAL | P20701 | 1/20 | 0.35 |
| ▸ | GPR6 | P46095 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.34 |
| ▸ | TTK | P33981 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL2805210 | 0.85 | AKT2 (0.36) | CHRM4JAK2JAK1LRRK2TTK | |
| Trifluoroacetic Acid SCHEMBL186078 | 0.82 | LRRK2 (0.40) | JAK2JAK1ITGB1ITGA5LRRK2 | |
| SCHEMBL2806814 | 0.79 | LRRK2 (0.42) | CHRM4LRRK2TTK | |
| SCHEMBL2804886 | 0.78 | AKT2 (0.39) | JAK2JAK1LRRK2TTK | |
| SCHEMBL2805653 | 0.77 | CYP3A4 (0.40) | CHRM4LRRK2SMN1; SMN2TTK | |
| SCHEMBL2792629 | 0.76 | METAP2 (0.39) | JAK2JAK1LRRK2TTK | |
| SCHEMBL2806045 | 0.76 | ACACB (0.45) | SMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL185495 | 0.74 | TAS2R14 (0.41) | ITGB1ITGA5LRRK2ITGB3ITGB2 | |
| SCHEMBL186470 | 0.72 | KDM4E (0.51) | SMN1; SMN2TTK | |
| SCHEMBL27853555 | 0.71 | LRRK2 (0.46) | LRRK2SMN1; SMN2 |
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-2401256-B1 | Compounds as bradykinin B1 antagonists | BOEHRINGER INGELHEIM INT (DE) | 2013-04-17 | — | — | EP | disclosed |
| EP-2401256-A1 | COMPOUNDS AS BRADYKININ B1 ANTAGONISTS | Boehringer Ingelheim International GmbH (DE) | 2012-01-04 | — | — | EP | disclosed |
| WO-2010097372-A1 | COMPOUNDS AS BRADYKININ B1 ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-09-02 | — | — | WO | disclosed |