Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 8/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.39 |
| ▸ | USP2 | O75604 | 4/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.32 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 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 | |
|---|---|---|---|---|
| SCHEMBL17107677 | 0.91 | CYP2D6 (0.39) | CYP2D6CYP3A4ALDH1A1CYP1A2USP2 | |
| SCHEMBL14810515 | 0.79 | CYP2D6 (0.34) | CYP2D6CYP3A4ALDH1A1CYP1A2USP2 | |
| SCHEMBL20719299 | 0.79 | CYP2D6 (0.40) | CYP2D6CYP3A4ALDH1A1CYP1A2USP2 | |
| SCHEMBL1627317 | 0.79 | — | — | |
| SCHEMBL165883 | 0.77 | CYP2D6 (0.42) | CYP2D6CYP3A4ALDH1A1CYP1A2USP2 | |
| SCHEMBL1793924 | 0.75 | CYP2D6 (0.41) | CYP2D6CYP3A4ALDH1A1CYP1A2USP2 | |
| SCHEMBL1796659 | 0.75 | — | — | |
| SCHEMBL1545685 | 0.75 | — | — | |
| Water SCHEMBL6402454 | 0.75 | CYP3A4 (0.41) | CYP2D6CYP3A4ALDH1A1CYP1A2USP2 | |
| SCHEMBL5428129 | 0.75 | CYP2D6 (0.41) | CYP2D6CYP3A4ALDH1A1CYP1A2USP2 |
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-2016190847-A1 | SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE | CALITOR SCIENCES, LLC (US) | 2016-12-01 | — | — | WO | disclosed |