Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR3 | P49682 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | DHFR | P00374 | 2/20 | 0.37 |
| ▸ | TNK2 | Q07912 | 5/20 | 0.33 |
| ▸ | FEN1 | P39748 | 3/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.33 |
| ▸ | JAK2 | O60674 | 2/20 | 0.32 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.31 |
| ▸ | HTR7 | P34969 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MAPK7 | Q13164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL115477 | 0.91 | CXCR3 (0.42) | CXCR3KCNH2DHFRFEN1HTR7 | |
| SCHEMBL115507 | 0.91 | CXCR3 (0.40) | CXCR3KCNH2DHFRTNK2JAK2 | |
| SCHEMBL114545 | 0.90 | CXCR3 (0.40) | CXCR3KCNH2TNK2PIK3CAMAPK7 | |
| SCHEMBL115833 | 0.89 | CXCR3 (0.41) | CXCR3KCNH2DHFRFEN1PIK3CA | |
| SCHEMBL113125 | 0.88 | CXCR3 (0.40) | CXCR3KCNH2DHFRFEN1MAPT | |
| SCHEMBL113545 | 0.88 | CXCR3 (0.42) | CXCR3KCNH2DHFRFEN1PIK3CA | |
| SCHEMBL114268 | 0.88 | CXCR3 (0.40) | CXCR3KCNH2DHFRFEN1PIK3CA | |
| SCHEMBL113986 | 0.88 | CXCR3 (0.40) | CXCR3KCNH2DHFRFEN1HTR7 | |
| SCHEMBL114041 | 0.87 | CXCR3 (0.39) | CXCR3KCNH2DHFRFEN1MAPT | |
| SCHEMBL114405 | 0.87 | CXCR3 (0.39) | CXCR3KCNH2TNK2JAK2MAPT |
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 |