Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.40 |
| ▸ | FABP4 | P15090 | 6/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.37 |
| ▸ | PIN1 | Q13526 | 3/20 | 0.36 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.35 |
| ▸ | TDP2 | O95551 | 1/20 | 0.35 |
| ▸ | PPIB | P23284 | 1/20 | 0.34 |
| ▸ | PPIA | P62937 | 1/20 | 0.34 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2815526 | 0.86 | ESR1 (0.40) | ESR1ESR2FABP4HSD17B1PIN1 | |
| SCHEMBL2813791 | 0.75 | AKR1C3 (0.42) | ESR1ESR2HSD17B1PIN1PPIB | |
| SCHEMBL2812915 | 0.74 | NQO2 (0.48) | ESR1ESR2ANO1 | |
| SCHEMBL28786248 | 0.68 | ESR1 (0.51) | ESR1ESR2HSD17B1CYP26A1 | |
| SCHEMBL2815530 | 0.68 | HSD17B1 (0.43) | ESR1ESR2HSD17B1 | |
| SCHEMBL9364487 | 0.65 | AKR1C3 (0.50) | ESR1ESR2HSD17B1 | |
| SCHEMBL30695378 | 0.64 | FABP4 (0.48) | FABP4 | |
| SCHEMBL23715022 | 0.64 | HTR2A (0.41) | PIN1 | |
| SCHEMBL21788517 | 0.64 | PIN1 (0.51) | PIN1 | |
| SCHEMBL2842735 | 0.64 | MTNR1A (0.58) | — |
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-2008157270-A1 | FARNESOID X RECEPTOR AGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-12-24 | — | — | WO | disclosed |