Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 12/20 | 0.51 |
| ▸ | ESR2 | Q92731 | 11/20 | 0.51 |
| ▸ | AKR1C3 | P42330 | 7/20 | 0.47 |
| ▸ | AKR1C2 | P52895 | 7/20 | 0.47 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8498098 | 0.95 | AKR1C3 (0.53) | ESR1ESR2AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL8502302 | 0.91 | ESR1 (0.53) | ESR1ESR2AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL8497880 | 0.87 | AKR1C3 (0.61) | ESR1ESR2AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL8499781 | 0.86 | ESR1 (0.51) | ESR1ESR2AKR1C3AKR1C2PTGS1 | |
| SCHEMBL8497551 | 0.81 | APP (0.54) | ESR1ESR2AKR1C3AKR1C2PTGS1 | |
| SCHEMBL8501285 | 0.81 | ESR1 (0.48) | ESR1ESR2 | |
| SCHEMBL8499778 | 0.80 | ESR1 (0.54) | ESR1ESR2 | |
| SCHEMBL8500226 | 0.80 | ESR1 (0.46) | ESR1ESR2AKR1C3AKR1C2PTGS1 | |
| SCHEMBL8497872 | 0.80 | ESR1 (0.54) | ESR1ESR2AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL8499330 | 0.79 | ESR1 (0.53) | 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 |