Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | CXCR3 | P49682 | 2/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | IRAK4 | Q9NWZ3 | 13/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | PLAU | P00749 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL111834 | 0.84 | CXCR3 (0.55) | CXCR3KCNH2IRAK4MAPTUSP2 | |
| SCHEMBL111124 | 0.78 | CXCR3 (0.67) | CXCR3KCNH2MAPTUSP2 | |
| SCHEMBL112547 | 0.77 | CXCR3 (0.54) | NPC1RAB9ACXCR3KCNH2IRAK4 | |
| SCHEMBL111943 | 0.76 | CXCR3 (0.54) | NPC1RAB9ACXCR3KCNH2MAPT | |
| SCHEMBL111889 | 0.74 | CXCR3 (0.67) | CXCR3KCNH2MAPT | |
| SCHEMBL112499 | 0.74 | CXCR3 (0.54) | CXCR3KCNH2IRAK4 | |
| SCHEMBL112255 | 0.73 | CXCR3 (0.55) | NPC1RAB9ACXCR3KCNH2 | |
| SCHEMBL113241 | 0.73 | CXCR3 (0.53) | NPC1RAB9ACXCR3KCNH2MAPT | |
| SCHEMBL112537 | 0.72 | CXCR3 (0.61) | CXCR3KCNH2USP2 | |
| SCHEMBL112123 | 0.72 | CXCR3 (0.53) | NPC1RAB9ACXCR3KCNH2IRAK4 |
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-2424858-A1 | CXCR3 RECEPTOR ANTAGONISTS | Boehringer Ingelheim International GmbH (DE) | 2012-03-07 | — | — | EP | disclosed |
| WO-2010126851-A1 | CXCR3 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-11-04 | — | — | WO | disclosed |