Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 2/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | APP | P05067 | 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 | |
|---|---|---|---|---|
| SCHEMBL8382880 | 0.96 | CYP3A4 (0.35) | CYP17A1CYP11B2CYP3A4HDAC2P2RY14 | |
| SCHEMBL8381522 | 0.96 | CYP3A4 (0.35) | CYP17A1CYP11B2CYP3A4HDAC2P2RY14 | |
| SCHEMBL8381523 | 0.96 | CYP3A4 (0.35) | CYP17A1CYP11B2CYP3A4HDAC2P2RY14 | |
| SCHEMBL9311501 | 0.96 | CYP3A4 (0.35) | CYP17A1CYP11B2CYP3A4HDAC2P2RY14 | |
| SCHEMBL9311508 | 0.96 | CYP3A4 (0.35) | CYP17A1CYP11B2CYP3A4HDAC2P2RY14 | |
| SCHEMBL8633522 | 0.89 | USP5 (0.33) | HDAC2KDM1A | |
| SCHEMBL8633516 | 0.89 | USP5 (0.33) | HDAC2KDM1A | |
| SCHEMBL9166201 | 0.89 | USP5 (0.33) | HDAC2KDM1A | |
| SCHEMBL10027426 | 0.89 | USP5 (0.33) | HDAC2KDM1A | |
| SCHEMBL8633514 | 0.89 | USP5 (0.33) | HDAC2KDM1A |
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 |