Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | MPO | P05164 | 1/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.32 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 2/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.31 |
| ▸ | CDK4 | P11802 | 1/20 | 0.31 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.31 |
| ▸ | KIT | P10721 | 1/20 | 0.31 |
| ▸ | FLT3 | P36888 | 1/20 | 0.31 |
| ▸ | PTK2 | Q05397 | 2/20 | 0.31 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.31 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.31 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.30 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14957374 | 0.88 | CNR2 (0.36) | CNR2MPOKITFLT3KCNQ3 | |
| SCHEMBL185856 | 0.86 | RAB9A (0.40) | CNR2KCNQ3KCNQ2KCNE1KCNQ1 | |
| SCHEMBL186066 | 0.84 | OPRM1 (0.37) | OPRM1CNR2EGFRKDRMPO | |
| SCHEMBL14957673 | 0.83 | ALDH1A1 (0.41) | EGFR | |
| SCHEMBL2807621 | 0.80 | CNR2 (0.40) | OPRM1CNR2EGFRKDRMPO | |
| Trifluoroacetic Acid SCHEMBL2807624 | 0.80 | MPO (0.38) | OPRM1CNR2EGFRKDRMPO | |
| SCHEMBL27853681 | 0.79 | OPRM1 (0.39) | OPRM1CNR2EGFRKDRMPO | |
| SCHEMBL184811 | 0.77 | OPRM1 (0.44) | OPRM1CNR2MPOS1PR4KDM1A | |
| SCHEMBL27870360 | 0.77 | OPRM1 (0.36) | OPRM1CNR2EGFRKDRMPO | |
| SCHEMBL2808542 | 0.76 | CNR2 (0.41) | OPRM1CNR2EGFRKDRMPO |
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 |