Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | CCNT1 | O60563 | 5/20 | 0.33 |
| ▸ | CDK9 | P50750 | 5/20 | 0.33 |
| ▸ | MGLL | Q99685 | 4/20 | 0.32 |
| ▸ | NAAA | Q02083 | 1/20 | 0.31 |
| ▸ | RARB | P10826 | 1/20 | 0.31 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.31 |
| ▸ | PDE5A | O76074 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.30 |
| ▸ | KDM1A | O60341 | 1/20 | 0.30 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8936340 | 0.99 | MGLL (0.33) | ESR2CCNT1CDK9MGLLNAAA | |
| SCHEMBL8937652 | 0.93 | NAAA (0.34) | ESR2CCNT1CDK9MGLLNAAA | |
| SCHEMBL8935972 | 0.93 | ESR2 (0.36) | ESR2CCNT1CDK9NAAAABCB1 | |
| SCHEMBL8937869 | 0.92 | MGLL (0.35) | ESR2CCNT1CDK9MGLLNAAA | |
| SCHEMBL8932625 | 0.92 | PDE5A (0.35) | ESR2CCNT1CDK9NAAARARB | |
| SCHEMBL8936232 | 0.91 | ESR2 (0.33) | ESR2CCNT1CDK9RARBPDE5A | |
| SCHEMBL8932627 | 0.91 | PDE5A (0.34) | ESR2NAAARARBPDE5AHDAC1 | |
| SCHEMBL8936238 | 0.91 | ESR2 (0.33) | ESR2CCNT1CDK9RARBPDE5A | |
| SCHEMBL8938930 | 0.91 | ESR2 (0.34) | ESR2CCNT1CDK9 | |
| SCHEMBL8936249 | 0.90 | RARB (0.34) | ESR2CCNT1CDK9RARBPDE5A |
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 |
|---|---|---|---|---|---|---|---|
| US-8187494-B2 | Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device | JNC CORPORATION (JP) | 2012-05-29 | — | — | US | disclosed |