Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR3 | P49682 | 2/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
| ▸ | GRIN2B | Q13224 | 10/20 | 0.46 |
| ▸ | GRIN1 | Q05586 | 9/20 | 0.46 |
| ▸ | TP53 | P04637 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3726632 | 0.87 | CXCR3 (0.52) | CXCR3KCNH2GRIN2BGRIN1TP53 | |
| SCHEMBL163879 | 0.87 | CXCR3 (0.62) | CXCR3KCNH2GRIN2BGRIN1TP53 | |
| SCHEMBL166876 | 0.86 | CXCR3 (0.59) | CXCR3KCNH2GRIN2BGRIN1TP53 | |
| SCHEMBL168189 | 0.86 | CXCR3 (0.54) | CXCR3KCNH2GRIN2BGRIN1TP53 | |
| SCHEMBL3732635 | 0.84 | CXCR3 (0.59) | CXCR3KCNH2GRIN2BGRIN1TP53 | |
| SCHEMBL167757 | 0.83 | CXCR3 (0.73) | CXCR3KCNH2GRIN2BGRIN1TP53 | |
| SCHEMBL164210 | 0.82 | CXCR3 (0.60) | CXCR3KCNH2GRIN2BGRIN1TP53 | |
| SCHEMBL168581 | 0.79 | THRB (0.42) | CXCR3KCNH2GRIN2BMAPT | |
| SCHEMBL114108 | 0.78 | ADRA1B (0.42) | GRIN2BGRIN1MAPT | |
| SCHEMBL113349 | 0.78 | CXCR3 (0.50) | CXCR3KCNH2GRIN2BGRIN1 |
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 |