Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BDKRB1 | P46663 | 4/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | RORC | P51449 | 1/20 | 0.37 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.36 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | VNN1 | O95497 | 2/20 | 0.35 |
| ▸ | ABL1 | P00519 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 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 | |
|---|---|---|---|---|
| SCHEMBL20069112 | 0.87 | BDKRB1 (0.38) | BDKRB1HCAR2HDAC3HDAC1HDAC2 | |
| SCHEMBL185748 | 0.84 | VNN1 (0.41) | BDKRB1HCAR2VNN1ABL1BACE1 | |
| SCHEMBL2787773 | 0.84 | VNN1 (0.41) | BDKRB1HCAR2VNN1ABL1BACE1 | |
| SCHEMBL20147619 | 0.83 | BDKRB1 (0.41) | BDKRB1HCAR2HDAC3HDAC1HDAC2 | |
| SCHEMBL20205895 | 0.83 | BDKRB1 (0.36) | BDKRB1HCAR2HDAC3HDAC1HDAC2 | |
| SCHEMBL2785997 | 0.83 | BDKRB1 (0.39) | BDKRB1HCAR2HDAC3HDAC1HDAC2 | |
| SCHEMBL20158441 | 0.81 | BDKRB1 (0.39) | BDKRB1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL17033022 | 0.80 | TSHR (0.58) | HDAC1HDAC6RORCTSHRKDM4E | |
| SCHEMBL17033016 | 0.78 | ALDH1A1 (0.53) | KDM4EROCK2 | |
| SCHEMBL185415 | 0.76 | BDKRB1 (0.47) | BDKRB1HCAR2BCAT2TSHRVNN1 |
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-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 |