Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 8/20 | 0.38 |
| ▸ | HTR7 | P34969 | 8/20 | 0.38 |
| ▸ | JAK2 | O60674 | 2/20 | 0.37 |
| ▸ | JAK3 | P52333 | 1/20 | 0.34 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.34 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.34 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | IDH1 | O75874 | 1/20 | 0.33 |
| ▸ | OGA | O60502 | 1/20 | 0.33 |
| ▸ | ERN1 | O75460 | 1/20 | 0.32 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL113266 | 0.90 | DHFR (0.35) | HTR1AHTR7GAANPSR1KCNH2 | |
| SCHEMBL112867 | 0.85 | DHFR (0.41) | HTR1AHTR7KCNH2CXCR3 | |
| SCHEMBL114800 | 0.84 | DHFR (0.35) | GAANPSR1PDE10ACXCR3 | |
| SCHEMBL113706 | 0.82 | PTGS2 (0.33) | HTR1AHTR7GAANPSR1OGA | |
| SCHEMBL113518 | 0.82 | ALDH1A1 (0.33) | GAA | |
| SCHEMBL113717 | 0.81 | CNR2 (0.39) | KCNH2PIK3CA | |
| SCHEMBL113579 | 0.80 | SMN1; SMN2 (0.33) | KCNH2PIK3CAOGA | |
| SCHEMBL115691 | 0.80 | SMN1; SMN2 (0.33) | KCNH2PIK3CAOGA | |
| SCHEMBL113317 | 0.78 | DHFR (0.35) | HTR1AHTR7KCNH2 | |
| SCHEMBL114773 | 0.77 | OGA (0.34) | HTR1AKCNH2OGACXCR3 |
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 |