Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 2/20 | 0.53 |
| ▸ | ACACB | O00763 | 14/20 | 0.47 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 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 | |
|---|---|---|---|---|
| SCHEMBL9495676 | 0.93 | MCHR1 (0.53) | MCHR1ACACBLTA4HCHRNB2CHRNB4 | |
| SCHEMBL9498090 | 0.90 | KDM4E (0.52) | MCHR1ACACBLTA4H | |
| SCHEMBL9495615 | 0.90 | MCHR1 (0.51) | MCHR1ACACBLTA4HCHRNB2CHRNB4 | |
| SCHEMBL9495038 | 0.89 | KDM4E (0.55) | MCHR1LTA4H | |
| SCHEMBL9495779 | 0.89 | KDM4E (0.55) | MCHR1LTA4H | |
| SCHEMBL9497471 | 0.89 | NPC1 (0.53) | MCHR1ACACBLTA4HCHRNB2CHRNB4 | |
| SCHEMBL9496054 | 0.89 | MCHR1 (0.50) | MCHR1ACACB | |
| SCHEMBL9496057 | 0.89 | KDM4E (0.55) | MCHR1LTA4H | |
| SCHEMBL9497455 | 0.87 | MCHR1 (0.49) | MCHR1ACACB | |
| SCHEMBL9854862 | 0.86 | NQO1 (0.52) | MCHR1ACACB |
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 |