Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL263080 | 0.89 | ALDH1A1 (0.58) | ALDH1A1CYP3A4TP53TSHRCYP2D6 | |
| Butane SCHEMBL21196517 | 0.83 | ALDH1A1 (0.89) | ALDH1A1CYP3A4TP53TSHRCYP2D6 | |
| SCHEMBL457006 | 0.83 | TSHR (0.39) | ALDH1A1TSHRTHRB | |
| Hydroxyl Radical SCHEMBL28083860 | 0.83 | ALDH1A1 (0.96) | ALDH1A1CYP3A4TP53TSHRCYP2D6 | |
| SCHEMBL1234307 | 0.81 | ALDH1A1 (0.54) | ALDH1A1CYP3A4TP53TSHRCYP2D6 | |
| Propane SCHEMBL11143722 | 0.81 | ALDH1A1 (0.93) | ALDH1A1CYP3A4TP53TSHRCYP2D6 | |
| SCHEMBL5098171 | 0.81 | ALDH1A1 (1.00) | ALDH1A1CYP3A4TP53TSHRCYP2D6 | |
| SCHEMBL5098181 | 0.81 | ALDH1A1 (1.00) | ALDH1A1CYP3A4TP53TSHRCYP2D6 | |
| SCHEMBL15617 | 0.81 | ALDH1A1 (1.00) | ALDH1A1CYP3A4TP53TSHRCYP2D6 | |
| SCHEMBL2048901 | 0.81 | ALDH1A1 (1.00) | ALDH1A1CYP3A4TP53TSHRCYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0935637-B1 | COMPATIBILIZED BLENDS OF SYNDIOTACTIC POLYSTYRENE WITH FURTHER THERMOPLASTIC POLYMERS | DU PONT (US) | 2003-05-28 | — | — | EP | disclosed |