Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR3 | P49682 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.34 |
| ▸ | CAMK1D | Q8IU85 | 2/20 | 0.32 |
| ▸ | FEN1 | P39748 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.31 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | TNF | P01375 | 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 | |
|---|---|---|---|---|
| SCHEMBL113227 | 0.91 | PSEN1 (0.34) | CXCR3KCNH2FEN1 | |
| SCHEMBL113141 | 0.91 | CXCR3 (0.38) | CXCR3KCNH2AOC3FEN1HTR1A | |
| SCHEMBL113125 | 0.89 | CXCR3 (0.40) | CXCR3KCNH2AOC3FEN1MAPK1 | |
| SCHEMBL114041 | 0.88 | CXCR3 (0.39) | CXCR3KCNH2AOC3FEN1MAPK1 | |
| SCHEMBL114491 | 0.87 | CXCR3 (0.35) | CXCR3KCNH2 | |
| SCHEMBL114638 | 0.87 | CXCR3 (0.38) | CXCR3KCNH2AOC3LRRK2 | |
| SCHEMBL115240 | 0.85 | MAPK8 (0.37) | CXCR3KCNH2 | |
| SCHEMBL114718 | 0.85 | CXCR3 (0.39) | CXCR3KCNH2AOC3LRRK2 | |
| SCHEMBL111097 | 0.85 | CXCR3 (0.37) | CXCR3KCNH2ALDH1A1TSHRHTR1A | |
| SCHEMBL114405 | 0.85 | CXCR3 (0.39) | CXCR3KCNH2AOC3MAPK1ALDH1A1 |
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 |