Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 8/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.37 |
| ▸ | CNR2 | P34972 | 4/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | AURKA | O14965 | 2/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19418576 | 0.91 | CNR2 (0.39) | P2RX7CNR2 | |
| SCHEMBL2812751 | 0.88 | P2RX7 (0.37) | TRPA1P2RX7CNR2HDAC3HDAC1 | |
| SCHEMBL2807472 | 0.85 | P2RX7 (0.39) | TRPA1P2RX7CNR2HDAC3HDAC1 | |
| SCHEMBL14865300 | 0.85 | TRPA1 (0.41) | TRPA1P2RX7CNR2HDAC3HDAC1 | |
| Hydrochloric Acid SCHEMBL2805225 | 0.85 | P2RX7 (0.39) | TRPA1P2RX7CNR2HDAC3HDAC1 | |
| SCHEMBL186730 | 0.84 | TRPA1 (0.40) | TRPA1P2RX7CNR2HDAC3HDAC1 | |
| SCHEMBL2805859 | 0.83 | BDKRB1 (0.41) | TRPA1P2RX7CNR2HDAC3HDAC1 | |
| SCHEMBL2807486 | 0.83 | HDAC3 (0.41) | TRPA1P2RX7CNR2HDAC3HDAC1 | |
| SCHEMBL13160253 | 0.83 | TRPA1 (0.36) | TRPA1P2RX7CNR2AURKAOPRL1 | |
| SCHEMBL2782482 | 0.83 | P2RX7 (0.38) | TRPA1P2RX7CNR2HDAC3HDAC1 |
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-2539323-B3 | Compounds as bradykinin B1 antagonists | BOEHRINGER INGELHEIM INT (DE) | 2017-10-04 | — | — | EP | disclosed |