Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | ACACB | O00763 | 7/20 | 0.44 |
| ▸ | MCHR1 | Q99705 | 7/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.43 |
| ▸ | HTR2A | P28223 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9500806 | 1.00 | RAB9A (0.44) | RAB9AACACBMCHR1CHRM1HTR2A | |
| SCHEMBL10513744 | 0.98 | ACACB (0.42) | RAB9AACACBMCHR1CHRM1HTR2A | |
| SCHEMBL9495848 | 0.98 | ACACB (0.42) | RAB9AACACBMCHR1CHRM1HTR2A | |
| SCHEMBL9495839 | 0.98 | ACACB (0.42) | RAB9AACACBMCHR1CHRM1HTR2A | |
| SCHEMBL9499361 | 0.97 | ACACB (0.42) | RAB9AACACBMCHR1CHRM1HTR2A | |
| SCHEMBL9499350 | 0.97 | ACACB (0.42) | RAB9AACACBMCHR1CHRM1HTR2A | |
| SCHEMBL9499623 | 0.95 | ACACB (0.48) | RAB9AACACBMCHR1CHRM1HTR2A | |
| SCHEMBL9499618 | 0.95 | ACACB (0.48) | RAB9AACACBMCHR1CHRM1HTR2A | |
| SCHEMBL9495880 | 0.92 | ACACB (0.45) | RAB9AACACBMCHR1CHRM1HTR2A | |
| SCHEMBL9498046 | 0.92 | ACACB (0.45) | RAB9AACACBMCHR1CHRM1HTR2A |
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 |