Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1B | P35368 | 4/20 | 0.42 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 9/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PER2 | O15055 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL113723 | 0.86 | CHRM2 (0.44) | ADRA1BADRA1DADRA1ACHRM2CHRM3 | |
| SCHEMBL113544 | 0.86 | ADRA1B (0.45) | ADRA1BADRA1DADRA1ACHRM2CHRM3 | |
| SCHEMBL114109 | 0.85 | ADRA1B (0.42) | ADRA1BADRA1DADRA1ACHRM2CHRM3 | |
| SCHEMBL178151 | 0.85 | ADRA1B (0.44) | ADRA1BADRA1DADRA1ACHRM2CHRM3 | |
| SCHEMBL168581 | 0.83 | THRB (0.42) | GRIN2BMAPT | |
| SCHEMBL115051 | 0.82 | ADRA1D (0.43) | ADRA1BADRA1DADRA1ACHRM2CHRM3 | |
| SCHEMBL114794 | 0.82 | CXCR3 (0.45) | ADRA1BADRA1DADRA1ACHRM2CHRM3 | |
| SCHEMBL115763 | 0.80 | ADRA1B (0.41) | ADRA1BADRA1DADRA1ACHRM2CHRM3 | |
| SCHEMBL168188 | 0.78 | CXCR3 (0.51) | GRIN2BGRIN1MAPT | |
| SCHEMBL114112 | 0.72 | ADRA1D (0.38) | ADRA1BADRA1DADRA1ACHRM4 |
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 |