Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | SLC8A1 | P32418 | 2/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 4/20 | 0.31 |
| ▸ | PNMT | P11086 | 1/20 | 0.31 |
| ▸ | FDPS | P14324 | 1/20 | 0.31 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.31 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.31 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.30 |
| ▸ | P2RY6 | Q15077 | 1/20 | 0.30 |
| ▸ | PGR | P06401 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19230821 | 0.84 | ESR1 (0.40) | ESR1ESR2SLC8A1AR | |
| SCHEMBL19230370 | 0.78 | SLC8A1 (0.37) | ESR1ESR2SLC8A1HSD11B1AKR1C3 | |
| SCHEMBL19230545 | 0.74 | ESR1 (0.53) | ESR1ESR2CYP11B2 | |
| SCHEMBL11048933 | 0.71 | ESR1 (0.57) | ESR1ESR2SLC8A1PNMT | |
| SCHEMBL3488386 | 0.67 | ESR1 (0.56) | ESR1ESR2SLC8A1PNMT | |
| SCHEMBL19230671 | 0.65 | ESR2 (0.50) | ESR1ESR2CYP11B2 | |
| SCHEMBL24101932 | 0.65 | DPP4 (0.41) | CYP11B1CYP11B2PGR | |
| SCHEMBL10509432 | 0.65 | DRD2 (0.36) | ESR1ESR2PNMT | |
| SCHEMBL10510220 | 0.64 | DRD2 (0.37) | ESR1ESR2PTGS2CYP11B1CYP11B2 | |
| SCHEMBL1029126 | 0.63 | PGR (0.56) | CYP11B1CYP11B2PNMTLRRK2PGR |
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-108602811-B | FXR receptor agonists | 轩竹生物科技有限公司 | 2021-11-16 | — | — | CN | disclosed |
| WO-2017133521-A1 | FXR RECEPTOR AGONIST | 山东轩竹医药科技有限公司 | 2017-08-10 | — | — | WO | disclosed |