Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATP1A1 | P05023 | 2/20 | 0.37 |
| ▸ | ATP1B1 | P05026 | 2/20 | 0.37 |
| ▸ | ATP1A3 | P13637 | 2/20 | 0.37 |
| ▸ | ATP1B2 | P14415 | 2/20 | 0.37 |
| ▸ | ATP1A2 | P50993 | 2/20 | 0.37 |
| ▸ | ATP1B3 | P54709 | 2/20 | 0.37 |
| ▸ | FXYD2 | P54710 | 2/20 | 0.37 |
| ▸ | ATP1A4 | Q13733 | 2/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.33 |
| ▸ | ESR1 | P03372 | 5/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5599526 | 0.95 | KDM1A (0.36) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL5599819 | 0.80 | PRKCI (0.45) | — | |
| SCHEMBL3138855 | 0.79 | ESR2 (0.53) | ESR2ESR1CYP3A4CYP2C9 | |
| SCHEMBL7143570 | 0.77 | — | — | |
| SCHEMBL5787848 | 0.76 | MAP4K1 (0.39) | KDM1ATRPA1 | |
| SCHEMBL742590 | 0.73 | ESR2 (0.52) | ESR2ESR1TSHRCYP19A1CYP3A4 | |
| SCHEMBL6139569 | 0.73 | L3MBTL1 (0.39) | NOS3NOS1 | |
| SCHEMBL8993390 | 0.70 | ESR2 (0.47) | ESR2ESR1CYP19A1CYP3A4CYP2C9 | |
| SCHEMBL13368345 | 0.70 | ESR2 (0.52) | ESR2ESR1TSHRCYP19A1CYP3A4 | |
| SCHEMBL25137077 | 0.69 | ATP1A1 (0.33) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 |
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-2005012220-A9 | CYCLOALKYLIDENE COMPOUNDS AS MODULATORS OF ESTROGEN RECEPTOR | SMITHKLINE BEECHAM CORP (US) | 2005-05-19 | — | — | WO | disclosed |