Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 11/20 | 0.56 |
| ▸ | MCHR1 | Q99705 | 4/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9500600 | 0.97 | ACACB (0.54) | ACACBMCHR1ALDH1A1 | |
| SCHEMBL9495171 | 0.96 | ACACB (0.53) | ACACBMCHR1ALDH1A1 | |
| SCHEMBL9495677 | 0.96 | ACACB (0.53) | ACACBMCHR1ALDH1A1 | |
| SCHEMBL9495543 | 0.94 | ACACB (0.56) | ACACBMCHR1CHRM1HTR2AALDH1A1 | |
| SCHEMBL9498779 | 0.94 | ACACB (0.61) | ACACBMCHR1CHRM1HTR2AALDH1A1 | |
| SCHEMBL9495806 | 0.93 | ACACB (0.55) | ACACBMCHR1ALDH1A1 | |
| SCHEMBL9497999 | 0.93 | ACACB (0.56) | ACACBMCHR1CHRM1HTR2A | |
| SCHEMBL9498850 | 0.92 | ACACB (0.54) | ACACBMCHR1ALDH1A1 | |
| SCHEMBL9496910 | 0.92 | ACACB (0.59) | ACACBMCHR1ALDH1A1 | |
| SCHEMBL9495840 | 0.92 | ACACB (0.54) | ACACBMCHR1ALDH1A1 |
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 |