Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.45 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.45 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.45 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.45 |
| ▸ | CHRNG | P07510 | 1/20 | 0.45 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.45 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.45 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.45 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.45 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.45 |
| ▸ | HTR3A | P46098 | 1/20 | 0.45 |
| ▸ | CHRND | Q07001 | 1/20 | 0.45 |
| ▸ | CHRNA2 | Q15822 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.35 |
| ▸ | ECE2 | P0DPD6 | 1/20 | 0.34 |
| ▸ | HPGDS | O60760 | 1/20 | 0.33 |
| ▸ | RBP4 | P02753 | 1/20 | 0.33 |
| ▸ | PROKR1 | Q8TCW9 | 4/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13561413 | 1.00 | ESR1 (0.45) | ESR1CHRNB4CHRNA3CHRNA1CHRNG | |
| SCHEMBL224375 | 1.00 | ESR1 (0.45) | ESR1CHRNB4CHRNA3CHRNA1CHRNG | |
| SCHEMBL25402074 | 0.84 | RBP4 (0.36) | CHRNB2CHRNA4HPGDSRBP4PROKR1 | |
| SCHEMBL29761235 | 0.84 | RBP4 (0.36) | CHRNB2CHRNA4HPGDSRBP4PROKR1 | |
| SCHEMBL25951618 | 0.83 | CHRNB2 (0.51) | ESR1CHRNB4CHRNA3CHRNA1CHRNG | |
| SCHEMBL8205378 | 0.81 | CHRNB2 (0.50) | ESR1CHRNB4CHRNA3CHRNA1CHRNG | |
| SCHEMBL14003852 | 0.81 | CHRNB2 (0.53) | ESR1CHRNB2CHRNA4HPGDESR2 | |
| SCHEMBL225881 | 0.81 | CHRNB2 (0.53) | ESR1CHRNB2CHRNA4HPGDESR2 | |
| SCHEMBL225186 | 0.80 | ESR1 (0.37) | ESR1ESR2HPGDSRBP4PROKR1 | |
| SCHEMBL4689632 | 0.80 | CHRNB2 (0.41) | ESR1CHRNB2CHRNA4HPGDESR2 |
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-113956255-A | Preparation method of varenicline intermediate, varenicline and salt thereof | 威智医药有限公司 | 2022-01-21 | — | — | CN | disclosed |