Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.30 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.30 |
| ▸ | CYP4A11 | Q02928 | 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 | |
|---|---|---|---|---|
| SCHEMBL1732520 | 0.88 | — | — | |
| SCHEMBL287909 | 0.88 | — | — | |
| SCHEMBL1732575 | 0.88 | — | — | |
| SCHEMBL3142027 | 0.82 | ALDH1A1 (0.38) | ALDH1A1TSHRCYP2D6CYP2C19HIF1A | |
| SCHEMBL30955711 | 0.79 | PIN1 (0.39) | ALDH1A1TSHRCYP2C19TRPA1CYP4F2 | |
| Pivalate SCHEMBL11039116 | 0.78 | ALDH1A1 (0.40) | ALDH1A1TSHRCYP2D6CYP2C19HIF1A | |
| SCHEMBL30688676 | 0.77 | KCNN4 (0.34) | ALDH1A1TSHRPOLB | |
| Benzene SCHEMBL11528901 | 0.75 | ALDH1A1 (0.46) | ALDH1A1TSHRPOLB | |
| Ether SCHEMBL5665509 | 0.74 | TET2 (0.40) | ALDH1A1TSHRCYP2D6CYP2C19HIF1A | |
| Ether SCHEMBL115545 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006046933-A1 | SEDATIVE AND SPASMOLYTIC MEDICINAL AGENT AND METHOD FOR THE PRODUCTION THEREOF (VARIANTS) | RYBCHUK VIKTOR OLEXANDROVYCH (UA) | 2006-05-04 | — | — | WO | disclosed |