Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 4/20 | 0.39 |
| ▸ | WDR5 | P61964 | 11/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | MTOR | P42345 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.36 |
| ▸ | FEN1 | P39748 | 1/20 | 0.36 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL113873 | 0.90 | KDM4E (0.41) | WDR5TNIK | |
| SCHEMBL112035 | 0.90 | CNR2 (0.42) | AOC3WDR5CNR2ALOX5APFEN1 | |
| SCHEMBL114572 | 0.85 | DHFR (0.33) | PIK3CATNIKLRRK2 | |
| SCHEMBL113125 | 0.83 | CXCR3 (0.40) | AOC3CNR2ALOX5APFEN1 | |
| SCHEMBL114041 | 0.82 | CXCR3 (0.39) | AOC3FEN1 | |
| SCHEMBL113141 | 0.82 | CXCR3 (0.38) | AOC3WDR5CNR2ALOX5APFEN1 | |
| SCHEMBL114405 | 0.80 | CXCR3 (0.39) | AOC3 | |
| SCHEMBL113179 | 0.80 | CNR2 (0.40) | AOC3WDR5CNR2ALOX5APFEN1 | |
| SCHEMBL114021 | 0.79 | CXCR3 (0.37) | ALOX5APFEN1 | |
| SCHEMBL112171 | 0.79 | CNR2 (0.48) | CNR2 |
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-2424840-A1 | CXCR3 RECEPTOR ANTAGONISTS | Boehringer Ingelheim International GmbH (DE) | 2012-03-07 | — | — | EP | disclosed |
| WO-2010126811-A1 | CXCR3 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-11-04 | — | — | WO | disclosed |