Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | VDR | P11473 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL1070261 | 0.83 | TSHR (0.39) | ALDH1A1TSHRMAPK1TP53CYP3A4 | |
| SCHEMBL18166514 | 0.76 | TSHR (0.37) | ALDH1A1TSHRMAPK1TP53CYP3A4 | |
| SCHEMBL27697907 | 0.76 | ALDH1A1 (0.44) | ALDH1A1TSHRMAPK1TP53CYP3A4 | |
| SCHEMBL7771137 | 0.75 | TSHR (0.42) | ALDH1A1TSHRMAPK1TP53CYP3A4 | |
| SCHEMBL2332616 | 0.75 | TSHR (0.36) | ALDH1A1TSHRMAPK1TP53CYP3A4 | |
| SCHEMBL10592331 | 0.73 | ALDH1A1 (0.43) | ALDH1A1TSHRMAPK1TP53CYP3A4 | |
| Acrylic Acid Ethyl Ester SCHEMBL8159117 | 0.72 | ALDH1A1 (0.50) | ALDH1A1TSHRTP53CYP3A4 | |
| SCHEMBL3667632 | 0.72 | ALDH1A1 (0.35) | ALDH1A1TSHRMAPK1TP53CYP3A4 | |
| Propane SCHEMBL3593621 | 0.72 | ALDH1A1 (0.53) | ALDH1A1TSHRTP53CYP3A4 | |
| SCHEMBL7219438 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6627762-B1 | Curable | Henkel IP & Holding GmbH (DE) | 2003-09-30 | — | — | US | disclosed |