Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR3 | P49682 | 7/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | TNF | P01375 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | ALPL | P05186 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 3/20 | 0.32 |
| ▸ | HTR7 | P34969 | 3/20 | 0.32 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL114268 | 0.91 | CXCR3 (0.40) | CXCR3KCNH2MEN1KMT2AMAPT | |
| SCHEMBL114563 | 0.89 | CXCR3 (0.42) | CXCR3KCNH2MEN1KMT2APOLB | |
| SCHEMBL115477 | 0.89 | CXCR3 (0.42) | CXCR3KCNH2POLBMAPTHTR1A | |
| SCHEMBL113540 | 0.88 | CXCR3 (0.40) | CXCR3KCNH2ALDH1A1MEN1KMT2A | |
| SCHEMBL115833 | 0.87 | CXCR3 (0.41) | CXCR3KCNH2POLB | |
| SCHEMBL115507 | 0.86 | CXCR3 (0.40) | CXCR3KCNH2ALDH1A1MAPTTNK2 | |
| SCHEMBL113252 | 0.86 | CXCR3 (0.41) | CXCR3KCNH2MAPTHTR7TNK2 | |
| SCHEMBL113125 | 0.85 | CXCR3 (0.40) | CXCR3KCNH2ALDH1A1MAPTHTT | |
| SCHEMBL113545 | 0.85 | CXCR3 (0.42) | CXCR3KCNH2MAPTHTR7 | |
| SCHEMBL113986 | 0.85 | CXCR3 (0.40) | CXCR3KCNH2ALDH1A1MAPTHTR7 |
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 |