Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 12/20 | 0.67 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.65 |
| ▸ | MAPT | P10636 | 2/20 | 0.62 |
| ▸ | MEN1 | O00255 | 1/20 | 0.62 |
| ▸ | NPC1 | O15118 | 1/20 | 0.62 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.62 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.62 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.62 |
| ▸ | EGFR | P00533 | 1/20 | 0.62 |
| ▸ | GBA1 | P04062 | 1/20 | 0.62 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.62 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.62 |
| ▸ | TP53 | P04637 | 1/20 | 0.62 |
| ▸ | PRKCG | P05129 | 1/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | PRKCB | P05771 | 1/20 | 0.62 |
| ▸ | LCK | P06239 | 1/20 | 0.62 |
| ▸ | FYN | P06241 | 1/20 | 0.62 |
| ▸ | PGR | P06401 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL18284479 | 1.00 | ESR1 (0.67) | ESR1CYP19A1CYP3A4MAPTMEN1 | |
| SCHEMBL18284213 | 0.94 | PDE1A (0.66) | ESR1CYP19A1CYP3A4ESR2 | |
| SCHEMBL18284214 | 0.94 | PDE1A (0.66) | ESR1CYP19A1CYP3A4ESR2 | |
| SCHEMBL18284576 | 0.93 | ESR1 (0.60) | ESR1CYP19A1CYP3A4MAPTMEN1 | |
| SCHEMBL18284508 | 0.89 | ESR1 (0.57) | ESR1CYP19A1CYP3A4NPC1 | |
| SCHEMBL18284506 | 0.89 | ESR1 (0.57) | ESR1CYP19A1CYP3A4NPC1 | |
| SCHEMBL18284633 | 0.88 | ESR1 (0.57) | ESR1CYP19A1CYP3A4 | |
| SCHEMBL18284634 | 0.88 | ESR1 (0.57) | ESR1CYP19A1CYP3A4 | |
| SCHEMBL18284533 | 0.86 | ESR1 (0.63) | ESR1CYP19A1CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL18290838 | 0.86 | ESR1 (0.60) | ESR1CYP19A1CYP3A4MAPTMEN1 |
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-2016196342-A1 | TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2016-12-08 | — | — | WO | disclosed |