Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 8/20 | 0.41 |
| ▸ | ESR1 | P03372 | 5/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | P4HB | P07237 | 1/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4782328 | 0.83 | ESR2 (0.45) | ESR2ESR1ALDH1A1NR3C1 | |
| SCHEMBL4732373 | 0.83 | ESR2 (0.45) | ESR2ESR1ALDH1A1NR3C1 | |
| SCHEMBL5460555 | 0.83 | ESR2 (0.45) | ESR2ESR1ALDH1A1NR3C1 | |
| SCHEMBL2421182 | 0.82 | ESR2 (0.58) | ESR2ESR1 | |
| SCHEMBL2415516 | 0.71 | ESR2 (0.60) | ESR2ESR1 | |
| SCHEMBL5612544 | 0.67 | CYP19A1 (0.40) | — | |
| SCHEMBL5616667 | 0.64 | KDM4E (0.40) | ALDH1A1GAA | |
| SCHEMBL2420989 | 0.64 | ESR2 (0.58) | ESR2ESR1 | |
| SCHEMBL2419019 | 0.63 | ESR2 (0.59) | ESR2ESR1 | |
| SCHEMBL1658799 | 0.62 | ESR2 (0.50) | ESR2ESR1MEN1KMT2AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007081895-A2 | PREPARATION OF SUBSTITUTED 2-HYDROXYGIBBA-1(10A), 2, 4, 4B-TETRAEN-6-ONES | MERCK & CO., INC. (US) | 2007-07-19 | — | — | WO | disclosed |