Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.39 |
| ▸ | FEN1 | P39748 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | WDR5 | P61964 | 10/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.35 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.34 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.34 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.34 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.34 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.34 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.34 |
| ▸ | TNF | P01375 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL112035 | 0.85 | CNR2 (0.42) | CNR2ALOX5APFEN1WDR5AOC3 | |
| SCHEMBL115565 | 0.81 | ALOX5AP (0.41) | CNR2ALOX5APFEN1WDR5AOC3 | |
| SCHEMBL113141 | 0.81 | CXCR3 (0.38) | CNR2ALOX5APFEN1WDR5AOC3 | |
| SCHEMBL113998 | 0.80 | AOC3 (0.39) | CNR2ALOX5APFEN1WDR5AOC3 | |
| SCHEMBL113873 | 0.78 | KDM4E (0.41) | WDR5ALDH1A1CYP2C9 | |
| SCHEMBL114718 | 0.77 | CXCR3 (0.39) | AOC3 | |
| SCHEMBL113125 | 0.77 | CXCR3 (0.40) | CNR2ALOX5APFEN1AOC3ALDH1A1 | |
| SCHEMBL3730827 | 0.76 | CXCR3 (0.51) | PDE4BAOC3MEN1ALDH1A1KMT2A | |
| SCHEMBL114041 | 0.76 | CXCR3 (0.39) | FEN1AOC3ALDH1A1CASP1 | |
| SCHEMBL114405 | 0.76 | CXCR3 (0.39) | AOC3MEN1ALDH1A1CYP1A2GLA |
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 |