Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR3 | P49682 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 5/20 | 0.35 |
| ▸ | HTR7 | P34969 | 5/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | GCK | P35557 | 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 | |
|---|---|---|---|---|
| SCHEMBL115324 | 0.91 | KCNH2 (0.41) | CXCR3KCNH2HTR1AHTR7PIK3CA | |
| SCHEMBL114135 | 0.89 | CXCR3 (0.41) | CXCR3KCNH2HTR1AHTR7SMN1; SMN2 | |
| SCHEMBL115477 | 0.85 | CXCR3 (0.42) | CXCR3KCNH2HTR1AHTR7USP2 | |
| SCHEMBL114268 | 0.84 | CXCR3 (0.40) | CXCR3KCNH2HTR1AHTR7USP2 | |
| SCHEMBL113986 | 0.84 | CXCR3 (0.40) | CXCR3KCNH2HTR7LMNAMAPT | |
| SCHEMBL115833 | 0.83 | CXCR3 (0.41) | CXCR3KCNH2POLBPIK3CA | |
| SCHEMBL115566 | 0.83 | KCNH2 (0.40) | CXCR3KCNH2HTR1AHTR7PIK3CA | |
| SCHEMBL115507 | 0.83 | CXCR3 (0.40) | CXCR3KCNH2MAPT | |
| SCHEMBL113252 | 0.83 | CXCR3 (0.41) | CXCR3KCNH2HTR7MAPTPIK3CA | |
| SCHEMBL113545 | 0.82 | CXCR3 (0.42) | CXCR3KCNH2HTR7MAPTPIK3CA |
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 |