Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR3 | P49682 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | DHFR | P00374 | 2/20 | 0.36 |
| ▸ | HTR1A | P08908 | 7/20 | 0.34 |
| ▸ | HTR7 | P34969 | 7/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.32 |
| ▸ | FEN1 | P39748 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CRHBP | P24387 | 1/20 | 0.32 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.31 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.31 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL114135 | 0.91 | CXCR3 (0.41) | CXCR3KCNH2HTR1AHTR7MAPT | |
| SCHEMBL115477 | 0.90 | CXCR3 (0.42) | CXCR3KCNH2DHFRHTR1AHTR7 | |
| SCHEMBL113540 | 0.90 | CXCR3 (0.40) | CXCR3KCNH2DHFRHTR1AHTR7 | |
| SCHEMBL115324 | 0.89 | KCNH2 (0.41) | CXCR3KCNH2HTR1AHTR7PIK3CA | |
| SCHEMBL114572 | 0.89 | DHFR (0.33) | CXCR3DHFRHTR1AHTR7TSHR | |
| SCHEMBL115833 | 0.89 | CXCR3 (0.41) | CXCR3KCNH2DHFRALOX5APFEN1 | |
| SCHEMBL113245 | 0.88 | AGER (0.36) | CXCR3KCNH2DHFRHTR1AHTR7 | |
| SCHEMBL113054 | 0.88 | TNIK (0.34) | KCNH2DHFRTP53MAPTHPGD | |
| SCHEMBL114734 | 0.88 | MAPT (0.39) | CXCR3KCNH2DHFRHTR1AHTR7 | |
| SCHEMBL113252 | 0.88 | CXCR3 (0.41) | CXCR3KCNH2DHFRHTR7MAPT |
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 |