Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 9/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 9/20 | 0.43 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | MIF | P14174 | 1/20 | 0.31 |
| ▸ | ADRB3 | P13945 | 4/20 | 0.31 |
| ▸ | THRA | P10827 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21855347 | 0.89 | ESR1 (0.43) | ESR1ESR2ARMEN1ALDH1A1 | |
| SCHEMBL21855348 | 0.88 | ESR1 (0.51) | ESR1ESR2MIFADRB3THRA | |
| SCHEMBL22468692 | 0.83 | ADRB3 (0.37) | ESR1ESR2ALDH1A1ADRB3THRA | |
| SCHEMBL22468679 | 0.81 | ESR1 (0.51) | ESR1ESR2MEN1ALDH1A1CYP1A2 | |
| SCHEMBL22468734 | 0.80 | ESR1 (0.33) | ESR1ESR2ARADRB3 | |
| SCHEMBL21855363 | 0.78 | ESR1 (0.51) | ESR1ESR2CYP3A4ADRB3 | |
| SCHEMBL29579800 | 0.74 | AR (0.38) | ARALDH1A1 | |
| SCHEMBL29447826 | 0.74 | AR (0.54) | ESR1ESR2ARALDH1A1CYP3A4 | |
| SCHEMBL21854449 | 0.74 | AR (0.54) | ESR1ESR2ARALDH1A1CYP3A4 | |
| SCHEMBL21855322 | 0.73 | ESR1 (0.51) | ESR1ESR2CYP3A4ADRB3 |
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-2020081999-A1 | ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE | ESSA PHARMA, INC. (CA) | 2020-04-23 | — | — | WO | disclosed |