Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | HSD17B2 | P37059 | 6/20 | 0.35 |
| ▸ | HSD17B1 | P14061 | 5/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | STS | P08842 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | GRM8 | O00222 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27402694 | 0.82 | CYP1A2 (0.35) | CYP1A2CYP2D6CYP2C19HSD17B2HSD17B1 | |
| SCHEMBL9970218 | 0.79 | APP (0.42) | CYP1A2CYP2E1CYP2D6CYP2A6CYP2B6 | |
| SCHEMBL23346051 | 0.78 | APP (0.42) | CYP1A2APPHSD17B2HSD17B1HSD11B1 | |
| SCHEMBL23996080 | 0.76 | APP (0.37) | CYP1A2APPHSD17B2HSD17B1HSD11B1 | |
| SCHEMBL27027357 | 0.75 | PTGS2 (0.33) | CYP1A2CYP2E1CYP2D6CYP2A6CYP2B6 | |
| SCHEMBL14015536 | 0.73 | GRM8 (0.43) | CYP1A2CYP2C9CYP3A4ALDH1A1GRM8 | |
| SCHEMBL10161032 | 0.71 | PDE4A (0.47) | ALDH1A1HPGDHSD17B10 | |
| SCHEMBL12673347 | 0.71 | CYP2C19 (0.74) | CYP1A2CYP2E1CYP2D6CYP2A6CYP2B6 | |
| SCHEMBL11933107 | 0.71 | KDM4E (0.46) | CYP1A2CYP2C9GRM8TACR1GRM7 | |
| SCHEMBL31318096 | 0.71 | APP (0.45) | CYP1A2CYP2E1CYP2D6CYP2A6CYP2B6 |
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-2239310-B1 | Liquid crystal medium and liquid crystal display | MERCK PATENT GMBH (DE) | 2012-06-27 | — | — | EP | disclosed |