Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 16/20 | 0.45 |
| ▸ | HRH2 | P25021 | 4/20 | 0.45 |
| ▸ | HRH1 | P35367 | 4/20 | 0.45 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | MMP3 | P08254 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9497527 | 1.00 | HRH3 (0.45) | HRH3HRH2HRH1KIF11MMP3 | |
| SCHEMBL9855720 | 0.90 | FFAR1 (0.39) | HRH3HRH2HRH1KCNH2FFAR1 | |
| SCHEMBL9498836 | 0.90 | FFAR1 (0.39) | HRH3HRH2HRH1KCNH2FFAR1 | |
| SCHEMBL9498830 | 0.90 | FFAR1 (0.39) | HRH3HRH2HRH1KCNH2FFAR1 | |
| SCHEMBL21258030 | 0.86 | FFAR1 (0.47) | HRH3MMP3FFAR1 | |
| SCHEMBL29306016 | 0.83 | APP (0.42) | HRH3FFAR1 | |
| SCHEMBL9495626 | 0.83 | HRH3 (0.41) | HRH3HRH2HRH1KIF11MMP3 | |
| SCHEMBL9495632 | 0.83 | HRH3 (0.41) | HRH3HRH2HRH1KIF11MMP3 | |
| SCHEMBL10513499 | 0.81 | FFAR1 (0.36) | HRH3HRH2HRH1FFAR1HSD11B1 | |
| SCHEMBL9495948 | 0.80 | HRH3 (0.40) | HRH3HRH2HRH1KIF11KCNH2 |
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 |