Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 8/20 | 0.38 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | PREP | P48147 | 2/20 | 0.37 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | FAP | Q12884 | 1/20 | 0.37 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.37 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3739637 | 0.87 | THRB (0.44) | THRBMAPK1CXCR3KCNH2LMNA | |
| SCHEMBL168466 | 0.86 | THRB (0.45) | THRBMAPK1CXCR3KCNH2KDM4E | |
| SCHEMBL168582 | 0.86 | THRB (0.43) | THRBMAPK1CXCR3KCNH2LMNA | |
| SCHEMBL165950 | 0.84 | MAPK1 (0.44) | THRBMAPK1GRIN2B | |
| SCHEMBL114108 | 0.83 | ADRA1B (0.42) | MAPTGRIN2B | |
| SCHEMBL161709 | 0.83 | CXCR3 (0.48) | THRBMAPK1CXCR3KCNH2PREP | |
| SCHEMBL164930 | 0.81 | CXCR3 (0.39) | THRBMAPK1CXCR3KCNH2PREP | |
| SCHEMBL168188 | 0.79 | CXCR3 (0.51) | CXCR3KCNH2MAPTGRIN2B | |
| SCHEMBL15925516 | 0.79 | PREP (0.42) | MAPK1CXCR3KCNH2PREPDPP4 | |
| SCHEMBL3735656 | 0.77 | MAPT (0.47) | THRBMAPK1CXCR3KCNH2LMNA |
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 |