Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGER | Q15109 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | DHFR | P00374 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 3/20 | 0.33 |
| ▸ | HTR7 | P34969 | 3/20 | 0.33 |
| ▸ | CCR1 | P32246 | 1/20 | 0.32 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.32 |
| ▸ | FEN1 | P39748 | 1/20 | 0.32 |
| ▸ | RAF1 | P04049 | 3/20 | 0.32 |
| ▸ | BRAF | P15056 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL114268 | 0.88 | CXCR3 (0.40) | DHFRHTR1AHTR7CXCR3KCNH2 | |
| SCHEMBL114734 | 0.84 | MAPT (0.39) | DHFRGAAHTR1AHTR7CXCR3 | |
| SCHEMBL115566 | 0.82 | KCNH2 (0.40) | AGERCYP3A4CYP3A5HTR1AHTR7 | |
| SCHEMBL114717 | 0.82 | ABL1 (0.34) | CYP3A4CYP3A5CYP2C9CYP2C19DHFR | |
| SCHEMBL114572 | 0.80 | DHFR (0.33) | CYP1A2DHFRHTR1AHTR7CXCR3 | |
| SCHEMBL113465 | 0.80 | HTR7 (0.34) | DHFRGAAHTR1AHTR7 | |
| SCHEMBL114135 | 0.80 | CXCR3 (0.41) | GAAHTR1AHTR7CXCR3KCNH2 | |
| SCHEMBL113540 | 0.79 | CXCR3 (0.40) | CYP3A4CYP1A2CYP2C9CYP2C19DHFR | |
| SCHEMBL115477 | 0.79 | CXCR3 (0.42) | DHFRHTR1AHTR7CXCR3KCNH2 | |
| SCHEMBL115324 | 0.78 | KCNH2 (0.41) | HTR1AHTR7CXCR3KCNH2PIK3CA |
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 |