Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.56 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | NAAA | Q02083 | 1/20 | 0.43 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.42 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.42 |
| ▸ | TDP2 | O95551 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 5/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13003651 | 0.88 | ALOX15 (0.46) | CYP17A1ALDH1A1 | |
| SCHEMBL11218889 | 0.88 | ALOX15 (0.46) | CYP17A1ALDH1A1 | |
| SCHEMBL10980023 | 0.87 | CYP17A1 (0.42) | CYP17A1FFAR1NAAAMEN1ALDH1A1 | |
| SCHEMBL10980194 | 0.85 | S1PR1 (0.41) | CYP17A1MEN1ALDH1A1KMT2A | |
| SCHEMBL10978711 | 0.83 | S1PR1 (0.47) | CYP17A1MGLLSMN1; SMN2 | |
| SCHEMBL10976337 | 0.82 | S1PR1 (0.44) | CYP17A1MGLLSMN1; SMN2 | |
| SCHEMBL10981104 | 0.81 | PTPN11 (0.46) | CYP17A1MGLL | |
| SCHEMBL10977775 | 0.81 | PTPN11 (0.46) | CYP17A1MGLL | |
| SCHEMBL10985489 | 0.81 | PTPN11 (0.46) | CYP17A1MGLL | |
| SCHEMBL14449509 | 0.81 | CYP17A1 (0.65) | CYP17A1FFAR1NAAAPDGFRBPDGFRA |
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-0074608-B1 | LIQUID CRYSTAL HALOGEN COMPOUNDS, PROCESS FOR THEIR PREPARATION, DIELECTRIC AND DECTROOPTICAL DISPLAY ELEMENT CONTAINING THEM | MERCK PATENT GmbH (DE) | 1985-07-03 | — | — | EP | disclosed |
| US-4490305-A | Liquid-crystalline halogen compounds, process for their preparation, dielectrics containing these, and electro-optical display element | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1984-12-25 | — | — | US | disclosed |
| EP-0074608-A2 | Liquid crystal halogen compounds, process for their preparation, dielectric and dectrooptical display element containing them | MERCK PATENT GmbH (DE) | 1983-03-23 | — | — | EP | disclosed |