Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 8/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.64 |
| ▸ | ESR1 | P03372 | 13/20 | 0.62 |
| ▸ | ESR2 | Q92731 | 9/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.62 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.62 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.62 |
| ▸ | MAPT | P10636 | 3/20 | 0.61 |
| ▸ | MEN1 | O00255 | 2/20 | 0.61 |
| ▸ | TP53 | P04637 | 2/20 | 0.61 |
| ▸ | PGR | P06401 | 2/20 | 0.61 |
| ▸ | ESRRG | P62508 | 2/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.61 |
| ▸ | NPC1 | O15118 | 1/20 | 0.61 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.61 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.61 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.61 |
| ▸ | EGFR | P00533 | 1/20 | 0.61 |
| ▸ | GBA1 | P04062 | 1/20 | 0.61 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL18290928 | 1.00 | CYP19A1 (0.64) | CYP19A1CYP3A4ESR1ESR2CYP1A2 | |
| SCHEMBL8652610 | 1.00 | CYP19A1 (0.64) | CYP19A1CYP3A4ESR1ESR2CYP1A2 | |
| SCHEMBL8656245 | 0.93 | ESR1 (0.61) | CYP19A1CYP3A4ESR1ESR2CYP1A2 | |
| SCHEMBL8656244 | 0.93 | ESR1 (0.61) | CYP19A1CYP3A4ESR1ESR2CYP1A2 | |
| SCHEMBL10796138 | 0.92 | CYP19A1 (0.74) | CYP19A1CYP3A4ESR1ESR2CYP1A2 | |
| SCHEMBL10796143 | 0.92 | CYP19A1 (0.74) | CYP19A1CYP3A4ESR1ESR2CYP1A2 | |
| SCHEMBL18840065 | 0.90 | CYP19A1 (0.78) | CYP19A1CYP3A4ESR1ESR2CYP1A2 | |
| SCHEMBL9661905 | 0.90 | CYP19A1 (0.78) | CYP19A1CYP3A4ESR1ESR2CYP1A2 | |
| SCHEMBL9661897 | 0.90 | CYP19A1 (0.78) | CYP19A1CYP3A4ESR1ESR2CYP1A2 | |
| SCHEMBL12468690 | 0.87 | CYP19A1 (0.73) | CYP19A1CYP3A4ESR1ESR2CYP1A2 |
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 |