Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR3 | P49682 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | GPR6 | P46095 | 1/20 | 0.32 |
| ▸ | NPY2R | P49146 | 3/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | CSF1R | P07333 | 1/20 | 0.31 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.31 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.31 |
| ▸ | SLC2A3 | P11169 | 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 | |
|---|---|---|---|---|
| SCHEMBL116262 | 0.90 | CXCR3 (0.35) | CXCR3ALDH1A1CYP1A2DHFRHSD17B10 | |
| SCHEMBL115742 | 0.84 | PIK3CA (0.33) | ALDH1A1KDM4EPIK3CASCN9A | |
| SCHEMBL114320 | 0.83 | ATR (0.32) | ALDH1A1CYP1A2HSD17B10CYP3A4CYP2C9 | |
| SCHEMBL114773 | 0.78 | OGA (0.34) | CXCR3TSHRDHFRABL1CYP3A4 | |
| SCHEMBL114147 | 0.77 | CXCR3 (0.34) | CXCR3 | |
| SCHEMBL3739124 | 0.77 | CXCR3 (0.53) | CXCR3 | |
| SCHEMBL114572 | 0.77 | DHFR (0.33) | CXCR3ALDH1A1CYP1A2TSHRDHFR | |
| SCHEMBL113266 | 0.76 | DHFR (0.35) | ALDH1A1CYP1A2DHFRHSD17B10CYP3A4 | |
| SCHEMBL113496 | 0.74 | CXCR3 (0.32) | CXCR3 | |
| SCHEMBL114932 | 0.74 | DHFR (0.35) | ALDH1A1CYP1A2TSHRDHFRHSD17B10 |
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 |