Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 4/20 | 0.44 |
| ▸ | AR | P10275 | 2/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.39 |
| ▸ | TTR | P02766 | 2/20 | 0.38 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.37 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | FABP4 | P15090 | 2/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19230656 | 0.86 | ESR1 (0.49) | ESR1ESR2MCL1PDK1PDK2 | |
| SCHEMBL19230805 | 0.86 | ESR1 (0.49) | ESR1ESR2MCL1PDK1PDK2 | |
| SCHEMBL19230310 | 0.86 | ESR1 (0.49) | ESR1ESR2MCL1PDK1PDK2 | |
| SCHEMBL4366876 | 0.82 | ESR2 (0.61) | ESR1ESR2MCL1ARTTR | |
| SCHEMBL19230285 | 0.81 | ESR2 (0.57) | ESR1ESR2ARPDK1PDK2 | |
| SCHEMBL19230618 | 0.81 | ESR2 (0.72) | ESR1ESR2TDP1MCL1AR | |
| SCHEMBL19230545 | 0.79 | ESR1 (0.53) | ESR1ESR2TTR | |
| SCHEMBL4371924 | 0.78 | ESR2 (0.62) | ESR1ESR2ARTTRCYP3A4 | |
| SCHEMBL19230672 | 0.77 | ESR2 (0.46) | ESR1ESR2 | |
| SCHEMBL19230647 | 0.74 | RAB9A (0.43) | TDP1MCL1ARTTRCYP3A4 |
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 1 patent. 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 |