Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.41 |
| ▸ | NAAA | Q02083 | 2/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.40 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL9664442 | 0.80 | MAOB (0.48) | — | |
| SCHEMBL9484389 | 0.79 | MAPT (0.46) | CYP17A1S1PR1PDGFRBPDGFRAMGLL | |
| SCHEMBL10977756 | 0.78 | S1PR1 (0.49) | CYP17A1S1PR1KDM4EALDH1A1 | |
| SCHEMBL12447022 | 0.78 | CSNK2A1 (0.46) | S1PR1KDM4EALDH1A1 | |
| SCHEMBL9399243 | 0.78 | SMN1; SMN2 (0.56) | S1PR1 | |
| SCHEMBL10978980 | 0.77 | CYP17A1 (0.46) | CYP17A1S1PR1KDM4EALDH1A1 | |
| SCHEMBL9664301 | 0.76 | RARB (0.47) | KDM4EALDH1A1 | |
| SCHEMBL9398975 | 0.76 | GLA (0.55) | S1PR1 | |
| SCHEMBL10303023 | 0.76 | CYP17A1 (0.47) | CYP17A1S1PR1NAAAPDGFRBPDGFRA | |
| SCHEMBL10974933 | 0.76 | S1PR1 (0.53) | CYP17A1S1PR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6197217-B1 | EXHIBIT A NEGATIVE DIELECTRIC ANISOTROPY VALUE, HAVE AN EXTREMELY HIGH VOLTAGE HOLDING RATIO AND A LOW THRESHOLD VOLTAGE, SMALL DEPENDENCY ON TEMPERATURE, HARDLY EXHIBIT SMECTIC PHASE; EXCELLENT IN MISCIBILITY WITH OTHER LC'S | CHISSO CORPORATION (JP) | 2001-03-06 | — | — | US | disclosed |
| EP-0959061-A1 | 3,3'-DIFLUOROBIPHENYL DERIVATIVES, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY ELEMENTS | CHISSO CORPORATION (JP) | 1999-11-24 | — | — | EP | disclosed |