Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 3/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
| ▸ | TLR4 | O00206 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.32 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.32 |
| ▸ | PDE9A | O76083 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNA2 | Q15822 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9499565 | 1.00 | FFAR1 (0.38) | FFAR1HRH3CYP2A6MAOAMAOB | |
| SCHEMBL9855252 | 1.00 | FFAR1 (0.38) | FFAR1HRH3CYP2A6MAOAMAOB | |
| SCHEMBL9495496 | 0.92 | HRH3 (0.37) | FFAR1HRH3CYP2A6MAOAMAOB | |
| SCHEMBL9495491 | 0.92 | HRH3 (0.37) | FFAR1HRH3CYP2A6MAOAMAOB | |
| SCHEMBL9855909 | 0.92 | HRH3 (0.37) | FFAR1HRH3CYP2A6MAOAMAOB | |
| SCHEMBL9495948 | 0.91 | HRH3 (0.40) | FFAR1HRH3 | |
| SCHEMBL9495945 | 0.91 | HRH3 (0.40) | FFAR1HRH3 | |
| SCHEMBL9497068 | 0.91 | GRM2 (0.41) | FFAR1HRH3CYP2A6MAOAMAOB | |
| SCHEMBL9497063 | 0.91 | GRM2 (0.41) | FFAR1HRH3CYP2A6MAOAMAOB | |
| SCHEMBL9855177 | 0.91 | GRM2 (0.41) | FFAR1HRH3CYP2A6MAOAMAOB |
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 |