Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 16/20 | 0.63 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.45 |
| ▸ | NQO1 | P15559 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9495937 | 0.92 | ACACB (0.61) | ACACBMCHR1NQO1 | |
| SCHEMBL9494958 | 0.89 | ACACB (0.49) | ACACBMCHR1FFAR1FFAR4 | |
| SCHEMBL9497336 | 0.88 | ACACB (0.52) | ACACBMCHR1FFAR1FFAR4 | |
| SCHEMBL9496091 | 0.88 | ACACB (0.58) | ACACBMCHR1 | |
| SCHEMBL9495985 | 0.88 | ACACB (0.67) | ACACBMCHR1FFAR1FFAR4 | |
| SCHEMBL9496359 | 0.87 | ACACB (0.58) | ACACBMCHR1NQO1 | |
| SCHEMBL9497867 | 0.85 | ACACB (0.65) | ACACBMCHR1FFAR1FFAR4 | |
| SCHEMBL9713010 | 0.85 | ACACB (0.49) | ACACBMCHR1FFAR1FFAR4 | |
| SCHEMBL9498322 | 0.85 | ACACB (0.50) | ACACBMCHR1 | |
| SCHEMBL9494910 | 0.84 | ACACB (0.49) | ACACBMCHR1 |
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-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 |