Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 3/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 8/20 | 0.34 |
| ▸ | HRH2 | P25021 | 2/20 | 0.34 |
| ▸ | HRH1 | P35367 | 2/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.31 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.30 |
| ▸ | CHRNA2 | Q15822 | 2/20 | 0.30 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.30 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9855349 | 0.94 | FFAR1 (0.39) | FFAR1HRH3CYP2A6FFAR4SIGMAR1 | |
| SCHEMBL9495017 | 0.94 | FFAR1 (0.39) | FFAR1HRH3CYP2A6FFAR4SIGMAR1 | |
| SCHEMBL9495022 | 0.94 | FFAR1 (0.39) | FFAR1HRH3CYP2A6FFAR4SIGMAR1 | |
| SCHEMBL9855720 | 0.90 | FFAR1 (0.39) | FFAR1HRH3HRH2HRH1CYP2A6 | |
| SCHEMBL9498836 | 0.90 | FFAR1 (0.39) | FFAR1HRH3HRH2HRH1CYP2A6 | |
| SCHEMBL9498830 | 0.90 | FFAR1 (0.39) | FFAR1HRH3HRH2HRH1CYP2A6 | |
| SCHEMBL9495632 | 0.86 | HRH3 (0.41) | FFAR1HRH3HRH2HRH1CYP2A6 | |
| SCHEMBL9495626 | 0.86 | HRH3 (0.41) | FFAR1HRH3HRH2HRH1CYP2A6 | |
| SCHEMBL9499571 | 0.83 | FFAR1 (0.38) | FFAR1HRH3CYP2A6FFAR4SIGMAR1 | |
| SCHEMBL9499565 | 0.83 | FFAR1 (0.38) | FFAR1HRH3CYP2A6FFAR4SIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |