Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 19/20 | 0.56 |
| ▸ | ESR2 | Q92731 | 19/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.39 |
| ▸ | THRA | P10827 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8497702 | 0.93 | ESR1 (0.49) | ESR1ESR2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8502300 | 0.93 | ESR1 (0.56) | ESR1ESR2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8498071 | 0.92 | ESR1 (0.60) | ESR1ESR2 | |
| SCHEMBL8500568 | 0.92 | ESR1 (0.48) | ESR1ESR2THRATHRB | |
| SCHEMBL8500292 | 0.91 | ESR1 (0.47) | ESR1ESR2HSD17B1HSD17B2THRA | |
| SCHEMBL8499778 | 0.90 | ESR1 (0.54) | ESR1ESR2 | |
| SCHEMBL8497550 | 0.87 | ESR1 (0.49) | ESR1ESR2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8501397 | 0.86 | ESR1 (0.54) | ESR1ESR2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8500225 | 0.86 | ESR1 (0.48) | ESR1ESR2 | |
| SCHEMBL8497867 | 0.86 | ESR1 (0.57) | ESR1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5916916-A | USEFUL AS SELECTIVE ESTROGEN RECEPTOR MODULATORS. | ELI LILLY AND COMPANY (US) | 1999-06-29 | — | — | US | claimed |
| US-5916916-A | USEFUL AS SELECTIVE ESTROGEN RECEPTOR MODULATORS. | ELI LILLY AND COMPANY (US) | 1999-06-29 | — | — | US | disclosed |