Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | ACACB | O00763 | 11/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.37 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.35 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9499816 | 1.00 | ESR2 (0.40) | ESR2ACACBMCHR1EGLN1EGLN3 | |
| SCHEMBL10511453 | 0.94 | MCHR1 (0.38) | ESR2ACACBMCHR1HRH3MAOA | |
| SCHEMBL9500347 | 0.90 | MCHR1 (0.40) | ESR2ACACBMCHR1HRH3MAOA | |
| SCHEMBL9496182 | 0.90 | ACACB (0.44) | ACACBMCHR1EGLN1EGLN3MAOA | |
| SCHEMBL9500360 | 0.90 | MCHR1 (0.40) | ESR2ACACBMCHR1HRH3MAOA | |
| SCHEMBL9496173 | 0.90 | ACACB (0.44) | ACACBMCHR1EGLN1EGLN3MAOA | |
| SCHEMBL9508530 | 0.89 | ESR2 (0.46) | ESR2ACACBHRH3MAOAMAOB | |
| SCHEMBL5961794 | 0.89 | ESR2 (0.46) | ESR2ACACBHRH3MAOAMAOB | |
| SCHEMBL9498316 | 0.89 | RAB9A (0.46) | ACACBMCHR1HRH3MAOAMAOB | |
| SCHEMBL9498325 | 0.89 | RAB9A (0.46) | ACACBMCHR1HRH3MAOAMAOB |
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 |