Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 2/20 | 0.36 |
| ▸ | PTGES | O14684 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 3/20 | 0.31 |
| ▸ | HTR2C | P28335 | 2/20 | 0.31 |
| ▸ | HTR2B | P41595 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9496349 | 1.00 | AR (0.36) | ARPTGESHTR2AHTR2CHTR2B | |
| SCHEMBL3448371 | 0.96 | AR (0.34) | ARPTGES | |
| SCHEMBL3448374 | 0.96 | AR (0.34) | ARPTGES | |
| SCHEMBL3448378 | 0.96 | AR (0.34) | ARPTGES | |
| SCHEMBL12733985 | 0.93 | USP30 (0.34) | ARPTGES | |
| SCHEMBL9497525 | 0.90 | AR (0.35) | ARPTGES | |
| SCHEMBL9497515 | 0.90 | AR (0.35) | ARPTGES | |
| SCHEMBL9500268 | 0.89 | KDM1A (0.33) | — | |
| SCHEMBL9500263 | 0.89 | KDM1A (0.33) | — | |
| SCHEMBL9496020 | 0.87 | AR (0.34) | ARPTGES |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0306505-B1 | ACETYLENE DERIVATIVES AS COMPONENTS OF LIQUID CRYSTAL PHASES | MERCK PATENT GmbH (DE) | 1993-03-24 | — | — | EP | disclosed |
| US-5068053-A | Liquid crystals for optical apparatus | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-11-26 | — | — | US | disclosed |
| EP-0306505-A1 | ACETYLENE DERIVATIVES AS COMPONENTS OF LIQUID CRYSTAL PHASES. | MERCK PATENT GMBH (DE) | 1989-03-15 | — | — | EP | disclosed |
| WO-1988007523-A1 | ACETYLENE DERIVATIVES AS COMPONENTS OF LIQUID CRYSTAL PHASES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1988-10-06 | — | — | WO | disclosed |