Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | SPHK1 | Q9NYA1 | 6/20 | 0.35 |
| ▸ | CTSK | P43235 | 2/20 | 0.34 |
| ▸ | ACHE | P22303 | 6/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | NAAA | Q02083 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7724584 | 0.73 | NPSR1 (0.38) | ALDH1A1 | |
| SCHEMBL21058295 | 0.71 | NPSR1 (0.39) | — | |
| SCHEMBL22832849 | 0.71 | SMN1; SMN2 (0.33) | ALDH1A1 | |
| SCHEMBL30225554 | 0.70 | SPHK1 (0.50) | SPHK1NAAA | |
| SCHEMBL8394580 | 0.68 | SPHK1 (0.46) | SPHK1ACHENAAA | |
| SCHEMBL22832966 | 0.68 | NPSR1 (0.35) | — | |
| SCHEMBL24654085 | 0.68 | ACHE (0.46) | SPHK1ACHE | |
| SCHEMBL11395604 | 0.67 | CETP (0.47) | SPHK1ACHENAAA | |
| SCHEMBL26077275 | 0.67 | TSHR (0.35) | — | |
| SCHEMBL26077336 | 0.66 | P2RX7 (0.34) | — |
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-6403818-B1 | ONE POT PROCESS STARTING FROM CARBONYL COMPOUND, ALCOHOL, THIOL OR AMINE, AND PROTECTED HYDROXYDICYANO COMPOUND | EISAI CO., LTD. (JP) | 2002-06-11 | — | — | US | disclosed |