Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL10413688 | 1.00 | ALDH1A1 (0.68) | ALDH1A1CYP3A4TP53TSHRCYP2D6 | |
| SCHEMBL934759 | 0.84 | TSHR (0.42) | ALDH1A1TSHRTHRB | |
| SCHEMBL934760 | 0.84 | TSHR (0.42) | ALDH1A1TSHRTHRB | |
| SCHEMBL11116608 | 0.84 | TSHR (0.42) | ALDH1A1TSHRTHRB | |
| Acrylic Acid Ethyl Ester SCHEMBL10693901 | 0.84 | ALDH1A1 (0.47) | ALDH1A1CYP3A4TSHR | |
| Propene SCHEMBL195063 | 0.82 | ALDH1A1 (0.86) | ALDH1A1CYP3A4TP53TSHRCYP2D6 | |
| SCHEMBL5098181 | 0.82 | ALDH1A1 (1.00) | ALDH1A1CYP3A4TP53TSHRCYP2D6 | |
| SCHEMBL2048901 | 0.82 | ALDH1A1 (1.00) | ALDH1A1CYP3A4TP53TSHRCYP2D6 | |
| SCHEMBL5098171 | 0.82 | ALDH1A1 (1.00) | ALDH1A1CYP3A4TP53TSHRCYP2D6 | |
| SCHEMBL15617 | 0.82 | 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-0278668-A2 | Polymerisation process | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-08-17 | — | — | EP | disclosed |