Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.51 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.51 |
| ▸ | MTNR1A | P48039 | 5/20 | 0.40 |
| ▸ | NQO2 | P16083 | 4/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.40 |
| ▸ | CYP26A1 | O43174 | 3/20 | 0.40 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.35 |
| ▸ | PPARD | Q03181 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28786251 | 0.90 | ESR1 (0.48) | ESR1ESR2CYP26A1HSD17B1PPARD | |
| SCHEMBL27823492 | 0.89 | ESR1 (0.56) | ESR1ESR2MTNR1ANQO2MTNR1B | |
| SCHEMBL3980047 | 0.74 | HTR6 (0.46) | MTNR1AMTNR1BPPARD | |
| SCHEMBL27802706 | 0.74 | HSD17B1 (0.38) | ESR1ESR2CYP26A1CYP19A1HSD17B1 | |
| SCHEMBL3411465 | 0.68 | ESR1 (0.62) | ESR1ESR2MTNR1ANQO2MTNR1B | |
| SCHEMBL13999991 | 0.68 | ESR1 (0.40) | ESR1ESR2CYP26A1HSD17B1 | |
| SCHEMBL2815526 | 0.68 | ESR1 (0.40) | ESR1ESR2MTNR1ANQO2MTNR1B | |
| SCHEMBL21126453 | 0.67 | ESR1 (0.56) | ESR1ESR2CYP26A1HSD17B1PPARD | |
| SCHEMBL28421061 | 0.66 | IDO1 (0.45) | CYP19A1 | |
| SCHEMBL3407376 | 0.66 | MTNR1A (0.57) | ESR1ESR2MTNR1ANQO2MTNR1B |
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 |
|---|---|---|---|---|---|---|---|
| CN-101977505-A | Farnesoid x receptor agonists | SMITHKLINE BEECHAM CORP | 2011-02-16 | — | — | CN | disclosed |