Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | SRC | P12931 | 2/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6431109 | 0.97 | ALDH1A1 (0.47) | ALDH1A1HPGDSRCAR | |
| SCHEMBL9011569 | 0.84 | ALDH1A1 (0.55) | ALDH1A1HPGDSRCAR | |
| SCHEMBL12627563 | 0.80 | ALDH1A1 (0.43) | ALDH1A1SRC | |
| SCHEMBL8448469 | 0.75 | ALDH1A1 (0.63) | ALDH1A1HPGDAR | |
| SCHEMBL3715087 | 0.75 | ALDH1A1 (0.63) | ALDH1A1HPGDAR | |
| SCHEMBL28035088 | 0.75 | ALDH1A1 (0.63) | ALDH1A1HPGDAR | |
| SCHEMBL7608578 | 0.75 | ALDH1A1 (0.63) | ALDH1A1HPGDAR | |
| SCHEMBL6430876 | 0.75 | GAA (0.38) | ALDH1A1 | |
| SCHEMBL7739545 | 0.75 | ALDH1A1 (0.54) | ALDH1A1HPGDSRCAR | |
| SCHEMBL2201723 | 0.74 | TLR8 (0.43) | ALDH1A1HPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1066227-B1 | PROCESS OF PREPARING DISCOTIC LIQUID CRYSTALLINE COMPOUNDS | MERCK PATENT GMBH (DE) | 2005-12-28 | — | — | EP | disclosed |
| US-6534135-B1 | Process of preparing discotic liquid crystalline compounds | MERCK PATENT GESELLSCHAFT (DE) | 2003-03-18 | — | — | US | disclosed |