Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CEPT1 | Q9Y6K0 | 1/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 18/20 | 0.50 |
| ▸ | ESR1 | P03372 | 15/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | DHODH | Q02127 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL21776932 | 0.87 | CEPT1 (0.52) | CEPT1ESR2ESR1DHODH | |
| SCHEMBL3919291 | 0.85 | CEPT1 (0.50) | CEPT1HDAC6DHODH | |
| SCHEMBL2402116 | 0.83 | ESR2 (0.64) | ESR2ESR1HDAC6 | |
| SCHEMBL14266178 | 0.79 | ESR2 (0.52) | ESR2ESR1HDAC6DHODH | |
| SCHEMBL29819729 | 0.76 | DHODH (0.54) | CEPT1ESR2ESR1DHODH | |
| SCHEMBL29819687 | 0.76 | DHODH (0.54) | CEPT1ESR2ESR1DHODH | |
| SCHEMBL21776901 | 0.73 | CEPT1 (0.56) | CEPT1 | |
| SCHEMBL21237208 | 0.73 | ALDH1A1 (0.56) | CEPT1DHODH | |
| SCHEMBL28616475 | 0.73 | ESR2 (0.56) | ESR2ESR1HDAC6 | |
| SCHEMBL10236256 | 0.72 | NPC1 (0.48) | ESR2ESR1HDAC6DHODH |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017031276-A1 | METHODS OF PROVIDING NEUROPROTECTIVE THERAPY RELATED TO ADMINISTERING AN ESTROGEN RECEPTOR BETA LIGAND | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2017-02-23 | — | — | WO | disclosed |
| EP-1781628-A2 | PRODRUG SUBSTITUTED BENZOXAZOLES AS ESTROGENIC AGENTS | Wyeth a Corporation of the State of Delaware (US) | 2007-05-09 | — | — | EP | disclosed |
| WO-2006026316-A2 | PRODRUG SUBSTITUTED BENZOXAZOLES AS ESTROGENIC AGENTS | WYETH (US) | 2006-03-09 | — | — | WO | disclosed |