Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VNN1 | O95497 | 6/20 | 0.41 |
| ▸ | BDKRB1 | P46663 | 4/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2787773 | 1.00 | VNN1 (0.41) | VNN1BDKRB1BACE1GABRA1CYP1A2 | |
| SCHEMBL186482 | 0.84 | BDKRB1 (0.42) | VNN1BDKRB1BACE1ABL1HCAR2 | |
| SCHEMBL186114 | 0.82 | KDM4E (0.43) | BDKRB1BACE1GABRA1CYP1A2ABL1 | |
| SCHEMBL19877015 | 0.81 | DGAT2 (0.47) | VNN1BDKRB1HCAR2 | |
| SCHEMBL2787462 | 0.79 | VNN1 (0.40) | VNN1BDKRB1BACE1HCAR2 | |
| SCHEMBL186662 | 0.79 | VNN1 (0.40) | VNN1BDKRB1BACE1HCAR2 | |
| SCHEMBL185595 | 0.79 | VNN1 (0.40) | VNN1BDKRB1BACE1HCAR2 | |
| SCHEMBL185596 | 0.76 | VNN1 (0.38) | VNN1BDKRB1BACE1HCAR2 | |
| SCHEMBL2787463 | 0.76 | VNN1 (0.38) | VNN1BDKRB1BACE1HCAR2 | |
| SCHEMBL20069112 | 0.76 | BDKRB1 (0.38) | VNN1BDKRB1HCAR2 |
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-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 |
| WO-2010097374-A1 | COMPOUNDS FOR USE AS BRADYKININ B1 ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-09-02 | — | — | WO | disclosed |