Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.30 |
| ▸ | WDR77 | Q9BQA1 | 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 | |
|---|---|---|---|---|
| SCHEMBL5957083 | 1.00 | ALDH1A1 (0.35) | ALDH1A1CYP3A4CYP2D6TSHRCYP2C9 | |
| SCHEMBL5957082 | 0.92 | LMNA (0.36) | ALDH1A1CYP3A4CYP2D6TSHRCYP2C9 | |
| SCHEMBL5957090 | 0.92 | LMNA (0.36) | ALDH1A1CYP3A4CYP2D6TSHRCYP2C9 | |
| SCHEMBL5957080 | 0.90 | ALDH1A1 (0.35) | ALDH1A1CYP3A4CYP2D6TSHRCYP2C9 | |
| SCHEMBL5957073 | 0.90 | ALDH1A1 (0.35) | ALDH1A1CYP3A4CYP2D6TSHRCYP2C9 | |
| SCHEMBL5954233 | 0.83 | DRD2 (0.37) | ALDH1A1CYP3A4CYP2D6TSHRCYP2C9 | |
| SCHEMBL3039847 | 0.83 | DRD2 (0.37) | ALDH1A1CYP3A4CYP2D6TSHRCYP2C9 | |
| SCHEMBL3035136 | 0.83 | DRD2 (0.37) | ALDH1A1CYP3A4CYP2D6TSHRCYP2C9 | |
| SCHEMBL1042355 | 0.79 | LMNA (0.46) | ALDH1A1CYP3A4CYP2D6TSHRCYP2C9 | |
| SCHEMBL5957067 | 0.79 | DRD2 (0.41) | ALDH1A1LMNATHRB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1726592-A1 | Dioxino derivatives and their use as dopanine agonists | Wyeth a Corporation of the State of Delaware (US) | 2006-11-29 | — | — | EP | disclosed |
| EP-1375503-A1 | Dioxino derivatives and their use as dopanine agonists | Wyeth (US) | 2004-01-02 | — | — | EP | disclosed |
| EP-0932609-B1 | AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3,8,9-TETRAHYDRO-7H-1,4-DIOXINO 2,3-e]INDOL-8-ONE | WYETH CORP (US) | 2003-05-14 | — | — | EP | disclosed |
| EP-0771800-A2 | Dioxino derivatives and their use as dopamine agonists | AMERICAN HOME PRODUCTS CORPORATION (US) | 1997-05-07 | — | — | EP | disclosed |