Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR3 | P49682 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | JUN | P05412 | 2/20 | 0.34 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.34 |
| ▸ | MAPK7 | Q13164 | 1/20 | 0.34 |
| ▸ | AKT1 | P31749 | 1/20 | 0.34 |
| ▸ | MTOR | P42345 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 3/20 | 0.33 |
| ▸ | DRD3 | P35462 | 3/20 | 0.33 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.33 |
| ▸ | WDR5 | P61964 | 1/20 | 0.32 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.32 |
| ▸ | SYK | P43405 | 2/20 | 0.31 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.31 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | TNK2 | Q07912 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL113252 | 0.90 | CXCR3 (0.41) | CXCR3KCNH2PIK3CAMAPK7TNK2 | |
| SCHEMBL115477 | 0.87 | CXCR3 (0.42) | CXCR3KCNH2 | |
| SCHEMBL115507 | 0.87 | CXCR3 (0.40) | CXCR3KCNH2TNK2 | |
| SCHEMBL113545 | 0.85 | CXCR3 (0.42) | CXCR3KCNH2PIK3CA | |
| SCHEMBL115833 | 0.85 | CXCR3 (0.41) | CXCR3KCNH2PIK3CA | |
| SCHEMBL113141 | 0.84 | CXCR3 (0.38) | CXCR3KCNH2WDR5 | |
| SCHEMBL113986 | 0.84 | CXCR3 (0.40) | CXCR3KCNH2 | |
| SCHEMBL113125 | 0.84 | CXCR3 (0.40) | CXCR3KCNH2 | |
| SCHEMBL114268 | 0.84 | CXCR3 (0.40) | CXCR3KCNH2PIK3CADRD2DRD3 | |
| SCHEMBL114718 | 0.83 | CXCR3 (0.39) | CXCR3KCNH2MAPK7TNK2 |
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 |