Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL8972126 | 0.81 | HTR2A (0.36) | SLC6A3 | |
| SCHEMBL8038554 | 0.80 | DRD2 (0.39) | — | |
| SCHEMBL15420175 | 0.79 | — | — | |
| SCHEMBL12228201 | 0.79 | — | — | |
| SCHEMBL8024951 | 0.79 | ESR2 (0.42) | CYP17A1CYP3A4CYP11B2P2RY14 | |
| SCHEMBL8024950 | 0.79 | ESR2 (0.42) | CYP17A1CYP3A4CYP11B2P2RY14 | |
| SCHEMBL14064159 | 0.78 | ESR2 (0.46) | CYP17A1CYP3A4CYP11B2P2RY14 | |
| SCHEMBL8768418 | 0.78 | PGR (0.39) | CYP17A1CYP3A4CYP11B2P2RY14 | |
| SCHEMBL8768421 | 0.78 | PGR (0.39) | CYP17A1CYP3A4CYP11B2P2RY14 | |
| SCHEMBL19850903 | 0.77 | KMT2A (0.39) | CYP17A1CYP3A4CYP11B2P2RY14 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0497176-B1 | Four rings compounds and liquid crystal mixtures containing them | MERCK PATENT GMBH (DE) | 2000-04-05 | — | — | EP | disclosed |
| US-5478497-A | For electro-optical purposes | HOFFMANN-LA ROCHE INC. (US) | 1995-12-26 | — | — | US | disclosed |
| EP-0497176-A2 | Four rings compounds and liquid crystal mixtures containing them | F. HOFFMANN-LA ROCHE AG (CH) | 1992-08-05 | — | — | EP | disclosed |