Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 4/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL13330260 | 0.77 | GPR35 (0.40) | ALDH1A1CYP1A2CYP3A4GPR35HPGD | |
| SCHEMBL30829436 | 0.76 | CYP1A2 (0.39) | ALDH1A1CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL2457167 | 0.70 | JAK2 (0.37) | ALDH1A1GPR35HPGDKDM4ETHRB | |
| SCHEMBL3156800 | 0.67 | CYP1A2 (0.54) | ALDH1A1CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL16504003 | 0.64 | CYP1A2 (0.70) | ALDH1A1CYP1A2CYP2C9CYP2C19HPGD | |
| SCHEMBL13245759 | 0.64 | ALDH1A1 (0.48) | ALDH1A1CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL510562 | 0.64 | HCAR2 (0.42) | DAOHCAR2 | |
| SCHEMBL5513393 | 0.64 | ALDH1A1 (0.63) | ALDH1A1CYP1A2CYP3A4HPGDKDM4E | |
| SCHEMBL19350085 | 0.63 | ADORA1 (0.39) | CYP1A2GPR35DAOHCAR2GAA | |
| SCHEMBL31495905 | 0.63 | GPR35 (0.45) | ALDH1A1CYP1A2CYP2C9CYP2C19CYP3A4 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2003072058-A2 | DNA-BINDING POLYAMIDE DRUG CONJUGATES | THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTATED BY THE SECRETARY, DEPARMENT OF HEALTH AND HUMAN SERVICES (US) | 2003-09-04 | — | — | WO | claimed |
| EP-1401817-A4 | ISOQUINOLINE COMPOUNDS HAVING ANTIINFECTIVE ACTIVITY | GENESOFT PHARMACEUTICALS INC (US) | 2005-11-02 | — | — | EP | disclosed |
| EP-1470119-A4 | BENZOTHIOPHENE COMPOUNDS HAVING ANTIINFECTIVE ACTIVITY | GENESOFT PHARMACEUTICALS INC (US) | 2005-10-19 | — | — | EP | disclosed |
| EP-1470119-A1 | BENZOTHIOPHENE COMPOUNDS HAVING ANTIINFECTIVE ACTIVITY | Genesoft, Inc. (US) | 2004-10-27 | — | — | EP | disclosed |
| EP-1401817-A1 | ISOQUINOLINE COMPOUNDS HAVING ANTIINFECTIVE ACTIVITY | Genesoft Pharmaceuticals, Inc. (US) | 2004-03-31 | — | — | EP | disclosed |
| WO-2002101073-A2 | ARYL-BENZIMIDAZOLE COMPOUNDS HAVING ANTIINFECTIVE ACTIVITY | GENESOFT PHARMACEUTICALS, INC. (US) | 2002-12-19 | — | — | WO | disclosed |
| WO-2002100832-A1 | ISOQUINOLINE COMPOUNDS HAVING ANTIINFECTIVE ACTIVITY | GENESOFT PHARMACEUTICALS, INC. (US) | 2002-12-19 | — | — | WO | disclosed |
| WO-2002100852-A1 | BENZOTHIOPHENE COMPOUNDS HAVING ANTIINFECTIVE ACTIVITY | GENESOFT PHARMACEUTICALS, INC. (US) | 2002-12-19 | — | — | WO | disclosed |