Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR3 | P49682 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | FEN1 | P39748 | 2/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | DHFR | P00374 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | TNKS | O95271 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL114041 | 0.99 | CXCR3 (0.39) | CXCR3KCNH2FEN1PTGS2ALDH1A1 | |
| SCHEMBL114405 | 0.94 | CXCR3 (0.39) | CXCR3KCNH2ALDH1A1AOC3HTR1A | |
| SCHEMBL112035 | 0.92 | CNR2 (0.42) | CXCR3KCNH2FEN1KDM4EAOC3 | |
| SCHEMBL113541 | 0.92 | KCNH2 (0.36) | CXCR3KCNH2AOC3 | |
| SCHEMBL113141 | 0.91 | CXCR3 (0.38) | CXCR3KCNH2FEN1AOC3HTR1A | |
| SCHEMBL115477 | 0.90 | CXCR3 (0.42) | CXCR3KCNH2FEN1PTGS2DHFR | |
| SCHEMBL114021 | 0.90 | CXCR3 (0.37) | CXCR3KCNH2FEN1HTR1AALOX5AP | |
| SCHEMBL114718 | 0.90 | CXCR3 (0.39) | CXCR3KCNH2AOC3TNKS | |
| SCHEMBL114423 | 0.89 | CXCR3 (0.35) | CXCR3KCNH2FEN1HTR1AALOX5AP | |
| SCHEMBL114747 | 0.89 | CXCR3 (0.35) | CXCR3KCNH2FEN1ALDH1A1KDM4E |
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 4 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 | claimed |
| WO-2010126811-A1 | CXCR3 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-11-04 | — | — | WO | claimed |
| 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 |