Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | TYR | P14679 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19230310 | 0.89 | ESR1 (0.49) | RAB9ACHRNB2CHRNA4CA12CA1 | |
| SCHEMBL19230805 | 0.89 | ESR1 (0.49) | RAB9ACHRNB2CHRNA4CA12CA1 | |
| SCHEMBL19230656 | 0.89 | ESR1 (0.49) | RAB9ACHRNB2CHRNA4CA12CA1 | |
| SCHEMBL19230648 | 0.83 | RAB9A (0.42) | RAB9ACA12CA1CA2CA7 | |
| SCHEMBL19230672 | 0.82 | ESR2 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL19230646 | 0.79 | HSD11B1 (0.36) | RAB9ACHRNB2CHRNA4TDP1MEN1 | |
| SCHEMBL19230623 | 0.77 | ESR1 (0.45) | RAB9ACA12CA1CA2CA7 | |
| SCHEMBL19230993 | 0.76 | ESR1 (0.47) | RAB9ACHRNB2CHRNA4CA12CA1 | |
| SCHEMBL19230375 | 0.76 | ESR2 (0.46) | RAB9ACHRNB2CHRNA4CA12CA1 | |
| SCHEMBL19230316 | 0.75 | CHRNB2 (0.43) | CHRNB2CHRNA4CA12CA1CA2 |
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 |