Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR3 | P49682 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | DHFR | P00374 | 3/20 | 0.34 |
| ▸ | HTR7 | P34969 | 4/20 | 0.32 |
| ▸ | FEN1 | P39748 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 3/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL115833 | 0.92 | CXCR3 (0.41) | CXCR3KCNH2DHFRFEN1POLB | |
| SCHEMBL113252 | 0.91 | CXCR3 (0.41) | CXCR3KCNH2DHFRHTR7FEN1 | |
| SCHEMBL113125 | 0.90 | CXCR3 (0.40) | CXCR3KCNH2DHFRFEN1MAPT | |
| SCHEMBL113986 | 0.90 | CXCR3 (0.40) | CXCR3KCNH2DHFRHTR7FEN1 | |
| SCHEMBL113545 | 0.90 | CXCR3 (0.42) | CXCR3KCNH2DHFRHTR7FEN1 | |
| SCHEMBL114268 | 0.90 | CXCR3 (0.40) | CXCR3KCNH2DHFRHTR7FEN1 | |
| SCHEMBL114405 | 0.89 | CXCR3 (0.39) | CXCR3KCNH2MAPTUSP2TSHR | |
| SCHEMBL114041 | 0.89 | CXCR3 (0.39) | CXCR3KCNH2DHFRFEN1MAPT | |
| SCHEMBL114135 | 0.89 | CXCR3 (0.41) | CXCR3KCNH2HTR7MAPTHTR1A | |
| SCHEMBL112035 | 0.88 | CNR2 (0.42) | CXCR3KCNH2FEN1TSHR |
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 |