Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR3 | P49682 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | TSPO | P30536 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | GPR183 | P32249 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.33 |
| ▸ | BRD1 | O95696 | 1/20 | 0.33 |
| ▸ | TAF1 | P21675 | 1/20 | 0.33 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.33 |
| ▸ | SCD | O00767 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 7/20 | 0.32 |
| ▸ | CDK2 | P24941 | 2/20 | 0.32 |
| ▸ | KDR | P35968 | 2/20 | 0.32 |
| ▸ | TNKS | O95271 | 2/20 | 0.31 |
| ▸ | ACACB | O00763 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL113141 | 0.91 | CXCR3 (0.38) | CXCR3KCNH2AOC3TNKS | |
| SCHEMBL114718 | 0.90 | CXCR3 (0.39) | CXCR3KCNH2AOC3ADORA2AADORA1 | |
| SCHEMBL113125 | 0.89 | CXCR3 (0.40) | CXCR3KCNH2AOC3TNKSDHFR | |
| SCHEMBL114041 | 0.88 | CXCR3 (0.39) | CXCR3KCNH2AOC3TNKSDHFR | |
| SCHEMBL114405 | 0.88 | CXCR3 (0.39) | CXCR3KCNH2AOC3EGFRTNKS | |
| SCHEMBL114839 | 0.88 | CXCR3 (0.36) | CXCR3KCNH2AOC3EGFR | |
| SCHEMBL113541 | 0.88 | KCNH2 (0.36) | CXCR3KCNH2AOC3 | |
| SCHEMBL114638 | 0.87 | CXCR3 (0.38) | CXCR3KCNH2PDE4BAOC3 | |
| SCHEMBL112035 | 0.86 | CNR2 (0.42) | CXCR3KCNH2AOC3 | |
| SCHEMBL114469 | 0.86 | CXCR3 (0.36) | CXCR3KCNH2ACACB |
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 |