Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 3/20 | 0.65 |
| ▸ | ESR1 | P03372 | 2/20 | 0.65 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | TAS2R31 | P59538 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL19230614 | 0.89 | ESR1 (0.50) | ESR2ESR1CA1CA2CYP19A1 | |
| SCHEMBL19230687 | 0.85 | ESR1 (0.46) | ESR2ESR1SLC8A1 | |
| SCHEMBL31395247 | 0.85 | SLC6A4 (0.49) | ESR2ESR1ALDH1A1 | |
| SCHEMBL19230618 | 0.85 | ESR2 (0.72) | ESR2ESR1CA12CA1CA2 | |
| SCHEMBL19230993 | 0.84 | ESR1 (0.47) | ESR2ESR1CA12CA1CA2 | |
| SCHEMBL19230805 | 0.83 | ESR1 (0.49) | ESR2ESR1CA12CA1CA2 | |
| SCHEMBL19230310 | 0.83 | ESR1 (0.49) | ESR2ESR1CA12CA1CA2 | |
| SCHEMBL19230375 | 0.83 | ESR2 (0.46) | ESR2ESR1CA12CA1CA2 | |
| SCHEMBL19230656 | 0.83 | ESR1 (0.49) | ESR2ESR1CA12CA1CA2 | |
| SCHEMBL19230623 | 0.82 | ESR1 (0.45) | ESR2ESR1CA12CA1CA2 |
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 |