Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.36 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.35 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 2/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.32 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.32 |
| ▸ | RORC | P51449 | 1/20 | 0.31 |
| ▸ | APP | P05067 | 1/20 | 0.31 |
| ▸ | CETP | P11597 | 1/20 | 0.31 |
| ▸ | FFAR1 | O14842 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28043083 | 0.81 | NR1I2 (0.41) | ESR1ESR2CYP4F2CYP4A11NR1I2 | |
| SCHEMBL13974407 | 0.80 | TSHR (0.41) | ESR1ESR2CYP4F2CYP4A11NR1I2 | |
| SCHEMBL12323306 | 0.77 | ESR1 (0.42) | ESR1ESR2CYP4F2CYP4A11NR1I2 | |
| SCHEMBL14593355 | 0.76 | ESR1 (0.48) | ESR1ESR2CYP4F2CYP4A11NR1I2 | |
| SCHEMBL4497165 | 0.75 | KIF11 (0.46) | NR1I2KIF11PTPN5APP | |
| SCHEMBL8988146 | 0.75 | ESR1 (0.58) | ESR1ESR2KIF11 | |
| SCHEMBL12628146 | 0.75 | KIF11 (0.46) | NR1I2KIF11PTPN5APP | |
| SCHEMBL5865851 | 0.73 | TSHR (0.45) | ESR1ESR2CYP4F2CYP4A11NR1I2 | |
| SCHEMBL5013479 | 0.73 | ESR1 (0.39) | ESR1ESR2KIF11RORC | |
| SCHEMBL7370695 | 0.73 | LOXL2 (0.43) | ESR1ESR2CYP4F2CYP4A11NR1I2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1893562-A1 | REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B | Merck Frosst Canada Ltd. (CA) | 2008-03-05 | — | — | EP | claimed |
| WO-2006133559-A1 | REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B | MERCK FROSST CANADA LTD. (CA) | 2006-12-21 | — | — | WO | claimed |