Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR3 | P49682 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | GRM5 | P41594 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL113905 | 0.89 | KDM4E (0.41) | KDM4EHSD17B10CASP1CASP7MAPT | |
| SCHEMBL23921279 | 0.81 | CXCR3 (0.47) | CXCR3KCNH2KDM4EHSD17B10GRM5 | |
| SCHEMBL161709 | 0.81 | CXCR3 (0.48) | CXCR3KCNH2GRM5 | |
| SCHEMBL114794 | 0.80 | CXCR3 (0.45) | CXCR3KCNH2KDM4EGRM5ALDH1A1 | |
| SCHEMBL167757 | 0.79 | CXCR3 (0.73) | CXCR3KCNH2KDM4EGRM5MAPT | |
| SCHEMBL3726521 | 0.78 | CXCR3 (0.51) | CXCR3KCNH2GRM5GAA | |
| SCHEMBL167336 | 0.78 | CXCR3 (0.55) | CXCR3KCNH2GRM5TP53 | |
| SCHEMBL3728849 | 0.77 | CXCR3 (0.42) | CXCR3KCNH2KDM4EGRM5LMNA | |
| SCHEMBL167110 | 0.77 | GRIN2B (0.45) | CXCR3KCNH2GRM5MAPT | |
| SCHEMBL163154 | 0.77 | GRM5 (0.43) | CXCR3KCNH2KDM4EGRM5 |
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 |