Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 6/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.37 |
| ▸ | ALKBH3 | Q96Q83 | 1/20 | 0.36 |
| ▸ | SDHB | P21912 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | NCEH1 | Q6PIU2 | 2/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.32 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.32 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.32 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.32 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.32 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13288453 | 0.82 | RARB (0.41) | CYP19A1CYP11B1CYP11B2CA2NCEH1 | |
| SCHEMBL4698652 | 0.80 | SLC2A1 (0.41) | CYP19A1CYP11B1CYP11B2PTGS2 | |
| SCHEMBL12074950 | 0.78 | DRD2 (0.33) | ESR2CA2 | |
| SCHEMBL403489 | 0.78 | CA2 (0.41) | CA12CA2PTGS1HSD17B1HSD17B2 | |
| SCHEMBL15998764 | 0.77 | GPR84 (0.37) | ESR1ESR2SDHBCA12CA2 | |
| SCHEMBL1304036 | 0.76 | ESR1 (0.43) | ESR1ESR2CA12CA2HSD17B1 | |
| SCHEMBL7245579 | 0.76 | CYP2A6 (0.38) | CA2 | |
| Trifluoromethanesulfonic Acid SCHEMBL8052264 | 0.76 | SLC2A1 (0.43) | NCEH1PTGS2PTGS1 | |
| SCHEMBL12265776 | 0.76 | EPAS1 (0.36) | — | |
| SCHEMBL11889275 | 0.76 | LMNA (0.46) | NCEH1 |
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-2028253-A1 | Optically isotropic liquid crystal medium and optical device | Chisso Corporation (JP) | 2009-02-25 | — | — | EP | disclosed |