Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 9/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.34 |
| ▸ | TSHR | P16473 | 6/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.34 |
| ▸ | ADH1B | P00325 | 1/20 | 0.33 |
| ▸ | ADH1C | P00326 | 1/20 | 0.33 |
| ▸ | ADH1A | P07327 | 1/20 | 0.33 |
| ▸ | ADH7 | P40394 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.31 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.31 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16543930 | 0.77 | CYP1A2 (0.36) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL1132433 | 0.70 | — | — | |
| SCHEMBL5315899 | 0.69 | ADH1B (0.50) | CYP1A2CYP2D6ADH1BADH1CADH1A | |
| SCHEMBL14573132 | 0.69 | — | — | |
| SCHEMBL17768601 | 0.69 | — | — | |
| SCHEMBL6006689 | 0.69 | ADH1B (0.40) | ADH1BADH1CADH1AADH7 | |
| SCHEMBL2887918 | 0.69 | — | — | |
| SCHEMBL11287500 | 0.68 | CYP3A4 (0.39) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL3175606 | 0.68 | TKT (0.35) | CYP1A2CYP3A4CYP2C19ADH1BADH1C | |
| SCHEMBL14818780 | 0.67 | NOS2 (0.33) | CYP1A2CYP3A4CYP2D6ALDH1A1KDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019180683-A1 | STING MODULATOR COMPOUNDS WITH SULFAMATE LINKAGES, AND METHODS OF MAKING AND USING | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2019-09-26 | — | — | WO | disclosed |