Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR3 | P49682 | 7/20 | 0.44 |
| ▸ | GRIN1 | Q05586 | 10/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 10/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | CRHR1 | P34998 | 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 | |
|---|---|---|---|---|
| SCHEMBL165523 | 0.89 | CXCR3 (0.44) | CXCR3GRIN1GRIN2BKCNH2CHRM1 | |
| SCHEMBL115409 | 0.88 | CXCR3 (0.57) | CXCR3GRIN1GRIN2BKCNH2CHRM1 | |
| SCHEMBL3728323 | 0.85 | CXCR3 (0.48) | CXCR3GRIN1GRIN2BKCNH2CHRM1 | |
| SCHEMBL15925539 | 0.80 | CXCR3 (0.44) | CXCR3GRIN1GRIN2BKCNH2 | |
| SCHEMBL167594 | 0.80 | CXCR3 (0.46) | CXCR3GRIN1GRIN2BKCNH2 | |
| SCHEMBL15925546 | 0.77 | CXCR3 (0.45) | CXCR3KCNH2 | |
| SCHEMBL164924 | 0.77 | CXCR3 (0.47) | CXCR3KCNH2 | |
| SCHEMBL113350 | 0.76 | CXCR3 (0.51) | CXCR3GRIN1GRIN2BKCNH2CHRM1 | |
| SCHEMBL113349 | 0.76 | CXCR3 (0.50) | CXCR3GRIN1GRIN2BKCNH2CHRM1 | |
| SCHEMBL165175 | 0.76 | CXCR3 (0.62) | CXCR3KCNH2CHRM1CHRM2 |
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 |