Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR3 | P49682 | 5/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.50 |
| ▸ | WDR5 | P61964 | 9/20 | 0.36 |
| ▸ | TNF | P01375 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | CDK9 | P50750 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| SCHEMBL113350 | 0.88 | CXCR3 (0.51) | CXCR3KCNH2WDR5TNFCHRM4 | |
| SCHEMBL167594 | 0.85 | CXCR3 (0.46) | CXCR3KCNH2TNFCHRM4GRIN1 | |
| SCHEMBL15925539 | 0.84 | CXCR3 (0.44) | CXCR3KCNH2CHRM4GRIN1GRIN2B | |
| SCHEMBL164088 | 0.83 | PREP (0.40) | CXCR3WDR5TNF | |
| SCHEMBL115409 | 0.83 | CXCR3 (0.57) | CXCR3KCNH2CHRM4GRIN1GRIN2B | |
| SCHEMBL165175 | 0.83 | CXCR3 (0.62) | CXCR3KCNH2TNFCHRM2CHRM1 | |
| SCHEMBL3728323 | 0.81 | CXCR3 (0.48) | CXCR3KCNH2GRIN1GRIN2BCHRM2 | |
| SCHEMBL169464 | 0.80 | CXCR3 (0.52) | CXCR3KCNH2TNFCHRM2CHRM1 | |
| SCHEMBL167757 | 0.80 | CXCR3 (0.73) | CXCR3KCNH2GRIN1GRIN2B | |
| SCHEMBL163879 | 0.79 | CXCR3 (0.62) | 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 4 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 | claimed |
| WO-2010126811-A1 | CXCR3 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-11-04 | — | — | WO | claimed |
| 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 |