Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.49 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | STAT3 | P40763 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.33 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | ACACB | O00763 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6547203 | 0.80 | ESR1 (0.65) | ESR1ESR2ACHESTAT3CYP1A2 | |
| SCHEMBL1954002 | 0.75 | ESR1 (0.85) | ESR1ESR2ACHEHPGDCYP1A2 | |
| SCHEMBL21699675 | 0.75 | ESR1 (0.55) | ESR1ESR2ACHESTAT3CYP1A2 | |
| SCHEMBL1841040 | 0.75 | ESR1 (0.85) | ESR1ESR2ACHEHPGDCYP1A2 | |
| SCHEMBL6546854 | 0.73 | ESR1 (0.57) | ESR1ESR2ACHESTAT3HCRTR2 | |
| SCHEMBL6546983 | 0.73 | ESR1 (0.57) | ESR1ESR2ACHESTAT3HCRTR2 | |
| SCHEMBL2844467 | 0.72 | ESR1 (0.55) | ESR1ESR2ACHECNR2 | |
| SCHEMBL2844291 | 0.71 | ESR1 (0.53) | ESR1ESR2CYP2A6TAAR1HCRTR2 | |
| SCHEMBL5313594 | 0.71 | ESR1 (0.53) | ESR1ESR2ACHECNR2CYP2A6 | |
| SCHEMBL15070045 | 0.70 | ESR1 (0.53) | ESR1ESR2ACHESTAT3CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3509583-B1 | ESTROGEN RECEPTOR LIGANDS, COMPOSITIONS AND METHODS RELATED THERETO | UNIV CALIFORNIA (US) | 2021-06-30 | — | — | EP | disclosed |