Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 8/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.32 |
| ▸ | GNRHR | P30968 | 1/20 | 0.31 |
| ▸ | PTK2 | Q05397 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2812255 | 0.93 | CNR2 (0.35) | CNR2CYP1A2CYP3A4CYP2C9TP53 | |
| SCHEMBL2805186 | 0.86 | CNR2 (0.37) | CNR2CYP1A2CYP3A4CYP2C9TP53 | |
| SCHEMBL2810858 | 0.86 | CNR2 (0.38) | CNR2CYP1A2CYP3A4CYP2C9TP53 | |
| SCHEMBL2807388 | 0.84 | BDKRB1 (0.39) | CNR2CYP1A2TP53CYP2D6CYP2C19 | |
| SCHEMBL2809124 | 0.83 | CNR2 (0.36) | CNR2CYP1A2CYP3A4CYP2C9TP53 | |
| SCHEMBL186328 | 0.83 | CNR2 (0.35) | CNR2CYP1A2CYP3A4CYP2C9TP53 | |
| SCHEMBL2805102 | 0.83 | CNR2 (0.35) | CNR2CYP1A2CYP3A4CYP2C9TP53 | |
| SCHEMBL13129178 | 0.83 | CNR2 (0.37) | CNR2CYP1A2TP53CYP2D6CYP2C19 | |
| SCHEMBL2806938 | 0.82 | HDAC3 (0.37) | CNR2LRRK2HDAC3HDAC1HDAC2 | |
| SCHEMBL2805933 | 0.82 | PTK2 (0.42) | CNR2CYP1A2CYP3A4CYP2C9LRRK2 |
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 1 patent. 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 |