Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.46 |
| ▸ | MAOB | P27338 | 3/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.44 |
| ▸ | SLC8A1 | P32418 | 9/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL19230616 | 0.89 | ESR2 (0.65) | ESR1ESR2CA1CA2CYP19A1 | |
| SCHEMBL19230991 | 0.84 | SLC8A1 (0.43) | CA1CA2GABRA1GABRB2CYP19A1 | |
| SCHEMBL31395247 | 0.84 | SLC6A4 (0.49) | ESR1ESR2 | |
| SCHEMBL19230577 | 0.83 | KDM4E (0.44) | CA1CA2GABRA1GABRB2SLC8A1 | |
| SCHEMBL19230789 | 0.83 | ESR1 (0.39) | ESR1ESR2CA1CA2GABRA1 | |
| SCHEMBL19230687 | 0.82 | ESR1 (0.46) | ESR1ESR2SLC8A1 | |
| SCHEMBL7202314 | 0.81 | ESR1 (0.76) | ESR1ESR2GABRA1GABRB2MAOB | |
| SCHEMBL19230824 | 0.81 | NOTUM (0.43) | SLC8A1 | |
| SCHEMBL11047047 | 0.79 | ESR1 (0.52) | ESR1ESR2GABRA1GABRB2MAOB | |
| SCHEMBL11049466 | 0.79 | ESR1 (0.56) | ESR1ESR2GABRA1GABRB2MAOB |
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 |