Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR3 | P49682 | 13/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.37 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL167594 | 0.89 | CXCR3 (0.46) | CXCR3KCNH2GRIN1GRIN2BCHRM4 | |
| SCHEMBL113350 | 0.85 | CXCR3 (0.51) | CXCR3KCNH2GRIN1GRIN2BCHRM4 | |
| SCHEMBL113349 | 0.84 | CXCR3 (0.50) | CXCR3KCNH2GRIN1GRIN2BCHRM4 | |
| SCHEMBL165523 | 0.80 | CXCR3 (0.44) | CXCR3KCNH2GRIN1GRIN2B | |
| SCHEMBL15925565 | 0.80 | CXCR3 (0.44) | CXCR3KCNH2GRIN1GRIN2B | |
| SCHEMBL15925546 | 0.80 | CXCR3 (0.45) | CXCR3KCNH2LIMK2 | |
| SCHEMBL164924 | 0.80 | CXCR3 (0.47) | CXCR3KCNH2LIMK2 | |
| SCHEMBL115409 | 0.79 | CXCR3 (0.57) | CXCR3KCNH2GRIN1GRIN2BCHRM4 | |
| SCHEMBL165175 | 0.79 | CXCR3 (0.62) | CXCR3KCNH2LIMK2 | |
| SCHEMBL3726632 | 0.77 | CXCR3 (0.52) | CXCR3KCNH2GRIN1GRIN2B |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2424840-B1 | CXCR3 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INT (DE) | 2014-08-06 | — | — | EP | disclosed |