Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 6/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.42 |
| ▸ | GRM5 | P41594 | 3/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9855660 | 0.88 | EGLN1 (0.48) | ACACBFFAR1FFAR4GRM5CYP2A6 | |
| SCHEMBL9494958 | 0.88 | ACACB (0.49) | ACACBFFAR1FFAR4GRM5CYP2A6 | |
| SCHEMBL9500122 | 0.87 | ACACB (0.44) | ACACBFFAR1FFAR4GRM5MCHR1 | |
| SCHEMBL14129682 | 0.86 | GRM5 (0.53) | ACACBGRM5 | |
| SCHEMBL9498756 | 0.84 | MCHR1 (0.44) | ACACBFFAR1FFAR4MCHR1 | |
| SCHEMBL9499796 | 0.83 | MCHR1 (0.44) | ACACBFFAR1FFAR4MCHR1 | |
| SCHEMBL9496080 | 0.82 | HSD17B10 (0.46) | ACACBFFAR1FFAR4MCHR1 | |
| SCHEMBL9496532 | 0.82 | HSD17B10 (0.46) | ACACBFFAR1FFAR4MCHR1 | |
| SCHEMBL9495618 | 0.82 | HSD17B10 (0.46) | ACACBFFAR1FFAR4MCHR1 | |
| SCHEMBL9495556 | 0.82 | ACACB (0.54) | ACACBGRM5MCHR1 |
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 3 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 |
| 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 |