Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.37 |
| ▸ | HPGD | P15428 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CCNC | P24863 | 1/20 | 0.34 |
| ▸ | CDK8 | P49336 | 1/20 | 0.34 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.34 |
| ▸ | CDK19 | Q9BWU1 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 2/20 | 0.32 |
| ▸ | CDK7 | P50613 | 1/20 | 0.32 |
| ▸ | CCNH | P51946 | 1/20 | 0.32 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24408822 | 1.00 | CHRNB2 (0.41) | CHRNB2CHRNA4CYP2D6HPGDALDH1A1 | |
| SCHEMBL4229844 | 0.78 | OXTR (0.42) | CYP2D6HPGDALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL22447123 | 0.77 | CHRNB2 (0.53) | CHRNB2CHRNA4CYP2D6HPGDALDH1A1 | |
| SCHEMBL24408805 | 0.75 | CHRNB2 (0.43) | CHRNB2CHRNA4CYP2D6HPGDALDH1A1 | |
| SCHEMBL24408852 | 0.71 | CHRNB2 (0.46) | CHRNB2CHRNA4CYP2D6HPGDALDH1A1 | |
| SCHEMBL23304812 | 0.70 | CHRNB2 (0.38) | CHRNB2CHRNA4CCNCCDK8HASPIN | |
| SCHEMBL21142848 | 0.69 | CHRNB2 (0.47) | CHRNB2CHRNA4CYP2D6HPGDALDH1A1 | |
| SCHEMBL21868457 | 0.66 | CHRNB2 (0.43) | CHRNB2CHRNA4ALDH1A1HSD17B10SIGMAR1 | |
| SCHEMBL30881541 | 0.66 | CHRNB2 (0.43) | CHRNB2CHRNA4ALDH1A1HSD17B10SIGMAR1 | |
| SCHEMBL23811371 | 0.66 | CHRNB2 (0.43) | CHRNB2CHRNA4CYP2D6HPGDALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022095971-A1 | SPIRO HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海医药集团股份有限公司 | 2022-05-12 | — | — | WO | disclosed |