Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 7/20 | 0.37 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | FLT3 | P36888 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL185884 | 0.89 | CNR2 (0.38) | CNR2CNR1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL185747 | 0.88 | CNR2 (0.39) | CNR2CNR1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL185320 | 0.87 | GAA (0.36) | CNR2PTK2CNR1CYP1A2CYP2D6 | |
| SCHEMBL185393 | 0.84 | CNR2 (0.42) | CNR2CNR1CYP1A2CYP2D6CYP2C19 | |
| Trifluoroacetic Acid SCHEMBL14856625 | 0.82 | CNR2 (0.40) | CNR2CNR1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL2810189 | 0.81 | CTSL (0.37) | CNR2CYP1A2CYP2D6CYP2C19RAB9A | |
| SCHEMBL185728 | 0.80 | IRAK4 (0.39) | CNR2CNR1 | |
| SCHEMBL2811071 | 0.77 | RAB9A (0.44) | HTR2ACNR2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL185476 | 0.75 | KIT (0.40) | CNR2CNR1P2RX7FLT3 | |
| SCHEMBL2809946 | 0.75 | CNR2 (0.39) | CNR2CYP1A2CYP2D6CYP2C19RAB9A |
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 |