Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 4/20 | 0.51 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.51 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.51 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.47 |
| ▸ | RARB | P10826 | 2/20 | 0.45 |
| ▸ | RARA | P10276 | 1/20 | 0.45 |
| ▸ | RARG | P13631 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 5/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CYP21A2 | P08686 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12154152 | 0.94 | CYP17A1 (0.56) | CYP17A1CYP11B1CYP11B2TAAR1RARB | |
| SCHEMBL16258055 | 0.94 | CYP17A1 (0.56) | CYP17A1CYP11B1CYP11B2TAAR1RARB | |
| SCHEMBL16258028 | 0.94 | CYP17A1 (0.56) | CYP17A1CYP11B1CYP11B2TAAR1RARB | |
| SCHEMBL9329120 | 0.89 | CYP17A1 (0.51) | CYP17A1CYP11B1CYP11B2TAAR1RARB | |
| SCHEMBL16258014 | 0.86 | CYP17A1 (0.53) | CYP17A1CYP11B1CYP11B2TAAR1RARB | |
| SCHEMBL16258048 | 0.86 | CYP17A1 (0.53) | CYP17A1CYP11B1CYP11B2TAAR1RARB | |
| SCHEMBL16257976 | 0.85 | CYP17A1 (0.49) | CYP17A1CYP11B1CYP11B2TAAR1RARB | |
| SCHEMBL9329602 | 0.85 | RARB (0.57) | CYP17A1CYP11B1CYP11B2TAAR1RARB | |
| SCHEMBL16258035 | 0.85 | CYP17A1 (0.49) | CYP17A1CYP11B1CYP11B2TAAR1RARB | |
| SCHEMBL16258016 | 0.85 | CYP17A1 (0.49) | CYP17A1CYP11B1CYP11B2TAAR1RARB |
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 |
|---|---|---|---|---|---|---|---|
| US-5496499-A | Biphenylethanes and liquid-crystalline phase | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1996-03-05 | — | — | US | disclosed |
| EP-0429558-B1 | DIPHENYLYLETHANES AND LIQUID CRYSTALLINE PHASE | MERCK PATENT GMBH (DE) | 1994-03-30 | — | — | EP | disclosed |
| WO-1990008757-A1 | DIPHENYLYLETHANES AND LIQUID CRYSTALLINE PHASE | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1990-08-09 | — | — | WO | disclosed |