Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 15/20 | 0.49 |
| ▸ | ESR1 | P03372 | 14/20 | 0.49 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.46 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | MIF | P14174 | 1/20 | 0.34 |
| ▸ | PFKFB3 | Q16875 | 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 | |
|---|---|---|---|---|
| SCHEMBL2084132 | 0.82 | ESR2 (0.48) | ESR2ESR1HSD17B1FGFR1 | |
| SCHEMBL498012 | 0.76 | ESR2 (0.51) | ESR2ESR1HSD17B1FGFR1 | |
| SCHEMBL27752654 | 0.74 | ESR2 (0.59) | ESR2ESR1HSD17B1FGFR1 | |
| SCHEMBL27752680 | 0.74 | CYP1A2 (0.40) | CYP1A2CYP2C19 | |
| SCHEMBL27741387 | 0.68 | NPSR1 (0.46) | ESR2ESR1HSD17B1CYP1A2CYP2C19 | |
| SCHEMBL4077781 | 0.68 | ESR2 (1.00) | ESR2ESR1HSD17B1FGFR1CYP1A2 | |
| SCHEMBL27752701 | 0.68 | HSD17B1 (0.44) | ESR2ESR1HSD17B1FGFR1 | |
| SCHEMBL11192747 | 0.65 | ALDH1A1 (0.44) | ESR2ESR1HSD17B1 | |
| SCHEMBL28661980 | 0.65 | HSD17B1 (0.65) | ESR2ESR1HSD17B1CYP1A2CYP2C19 | |
| SCHEMBL2082039 | 0.64 | KDM4E (0.55) | ESR2ESR1HSD17B1MIFPFKFB3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101374834-B | Compounds and methods for modulating FXR | ELI LILLY AND CO. (US) | 2011-12-14 | — | — | CN | disclosed |
| CN-101374834-A | Compounds and methods for modulating FXR | LILLY CO ELI (US) | 2009-02-25 | — | — | CN | disclosed |