Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 3/20 | 0.45 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | P2RY6 | Q15077 | 1/20 | 0.34 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.33 |
| ▸ | PTGES | O14684 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | ACACB | O00763 | 2/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.31 |
| ▸ | CHRNA2 | Q15822 | 2/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9855586 | 1.00 | FFAR1 (0.45) | FFAR1FFAR4CYP2C9ALDH1A1LMNA | |
| SCHEMBL24718015 | 0.93 | FFAR1 (0.41) | FFAR1FFAR4CYP2C9ALDH1A1LMNA | |
| SCHEMBL9500394 | 0.92 | FFAR1 (0.40) | FFAR1FFAR4CYP2C9P2RY6 | |
| SCHEMBL9500386 | 0.92 | FFAR1 (0.40) | FFAR1FFAR4CYP2C9P2RY6 | |
| SCHEMBL9500523 | 0.92 | FFAR1 (0.40) | FFAR1FFAR4CYP2C9KCNH2 | |
| SCHEMBL9500527 | 0.92 | FFAR1 (0.40) | FFAR1FFAR4CYP2C9KCNH2 | |
| SCHEMBL7887237 | 0.91 | FFAR1 (0.42) | FFAR1FFAR4CYP2C9ALDH1A1LMNA | |
| SCHEMBL9333097 | 0.91 | FFAR1 (0.42) | FFAR1FFAR4CYP2C9ALDH1A1LMNA | |
| SCHEMBL8774981 | 0.91 | FFAR1 (0.46) | FFAR1FFAR4CYP2C9ALDH1A1LMNA | |
| Fluoride SCHEMBL9841737 | 0.91 | FFAR1 (0.39) | FFAR1FFAR4CYP2C9ALDH1A1LMNA |
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 |