Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYSLTR2 | Q9NS75 | 9/20 | 0.39 |
| ▸ | CYSLTR1 | Q9Y271 | 9/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | THRA | P10827 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 4/20 | 0.32 |
| ▸ | CTSL | P07711 | 2/20 | 0.32 |
| ▸ | CTSB | P07858 | 2/20 | 0.32 |
| ▸ | CTSH | P09668 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29573380 | 0.79 | CYSLTR2 (0.44) | CYSLTR2CYSLTR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8723703 | 0.79 | CYSLTR2 (0.44) | CYSLTR2CYSLTR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10513059 | 0.73 | CYSLTR2 (0.48) | CYSLTR2CYSLTR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3197029 | 0.73 | CYSLTR2 (0.43) | CYSLTR2CYSLTR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5665256 | 0.72 | CYSLTR2 (0.46) | CYSLTR2CYSLTR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9621646 | 0.72 | CYSLTR2 (0.46) | CYSLTR2CYSLTR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL30436245 | 0.72 | CYSLTR2 (0.46) | CYSLTR2CYSLTR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL18378474 | 0.72 | CYSLTR2 (0.47) | CYSLTR2CYSLTR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL23804980 | 0.72 | L3MBTL1 (0.41) | CYP3A4CYP2C9THRB | |
| SCHEMBL21175627 | 0.72 | ADRA2A (0.44) | CYSLTR2CYSLTR1CYP3A4CYP2D6CYP2C9 |
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-0052775-B1 | PROCESS FOR THE PRODUCTION OF ALDEHYDES AND INTERMEDIATE PRODUCTS | L. GIVAUDAN & CIE Société Anonyme (CH) | 1985-05-02 | — | — | EP | claimed |