Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5AP | P20292 | 1/20 | 0.38 |
| ▸ | FEN1 | P39748 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | PDE9A | O76083 | 1/20 | 0.34 |
| ▸ | AOC3 | Q16853 | 10/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.32 |
| ▸ | MTOR | P42345 | 3/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL113717 | 0.83 | CNR2 (0.39) | ALOX5APFEN1CNR2PDE9AAOC3 | |
| SCHEMBL114639 | 0.82 | CNR2 (0.39) | ALOX5APFEN1CNR2AOC3KCNH2 | |
| SCHEMBL113904 | 0.79 | AOC3 (0.38) | CNR2AOC3KCNH2 | |
| SCHEMBL115565 | 0.78 | ALOX5AP (0.41) | ALOX5APFEN1CNR2AOC3KCNH2 | |
| SCHEMBL3732871 | 0.76 | NAMPT (0.44) | AOC3 | |
| SCHEMBL113706 | 0.75 | PTGS2 (0.33) | FEN1CNR2MEN1ALDH1A1CASP1 | |
| SCHEMBL115691 | 0.71 | SMN1; SMN2 (0.33) | AOC3KCNH2MEN1ALDH1A1KMT2A | |
| SCHEMBL113579 | 0.71 | SMN1; SMN2 (0.33) | AOC3KCNH2MEN1ALDH1A1KMT2A | |
| SCHEMBL114774 | 0.70 | LRRK2 (0.39) | PIK3CAMTORPIK3CDPRKDC | |
| SCHEMBL13039485 | 0.69 | NAMPT (0.42) | AOC3KCNH2 |
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 |