Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | ACACB | O00763 | 12/20 | 0.44 |
| ▸ | NQO1 | P15559 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5961794 | 1.00 | ESR2 (0.46) | ESR2ACACBNQO1HRH3MAOA | |
| SCHEMBL9512520 | 0.96 | ESR2 (0.42) | ESR2ACACBNQO1HRH3MAOA | |
| SCHEMBL12990842 | 0.92 | ESR2 (0.53) | ESR2NQO1HRH3MAOAMAOB | |
| SCHEMBL9742349 | 0.91 | ACACB (0.39) | ESR2ACACBHRH3 | |
| SCHEMBL9742353 | 0.91 | ACACB (0.39) | ESR2ACACBHRH3 | |
| SCHEMBL9499809 | 0.89 | ESR2 (0.40) | ESR2ACACBHRH3MAOAMAOB | |
| SCHEMBL9499816 | 0.89 | ESR2 (0.40) | ESR2ACACBHRH3MAOAMAOB | |
| SCHEMBL13433646 | 0.88 | RAB9A (0.47) | ESR2ACACBHRH3MAOAMAOB | |
| SCHEMBL9511312 | 0.88 | RAB9A (0.53) | ESR2ACACBHRH3MAOAMAOB | |
| SCHEMBL9511375 | 0.88 | RAB9A (0.47) | ESR2ACACBHRH3MAOAMAOB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0308438-B1 | LIQUID CRYSTAL PHASE CONTAINING TOLANES | MERCK PATENT GmbH (DE) | 1993-09-29 | — | — | EP | disclosed |