Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 1/20 | 0.55 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.55 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 5/20 | 0.47 |
| ▸ | CA2 | P00918 | 5/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL13618052 | 0.78 | MAPT (0.53) | PRSS1PRSS2PRSS3ALDH1A1SMN1; SMN2 | |
| SCHEMBL11665015 | 0.78 | CES2 (0.52) | PRSS1PRSS2PRSS3ALDH1A1SMN1; SMN2 | |
| SCHEMBL5693740 | 0.77 | CA1 (0.54) | PRSS1PRSS2PRSS3ALDH1A1SMN1; SMN2 | |
| SCHEMBL8294719 | 0.76 | PRSS1 (0.57) | PRSS1PRSS2PRSS3ALDH1A1SMN1; SMN2 | |
| SCHEMBL546672 | 0.75 | F3 (0.59) | ALDH1A1CYP3A4CES2CES1MAPT | |
| SCHEMBL6003192 | 0.75 | MAPT (0.59) | PRSS1PRSS2PRSS3ALDH1A1SMN1; SMN2 | |
| SCHEMBL22198795 | 0.75 | CES2 (0.48) | PRSS1PRSS2PRSS3ALDH1A1SMN1; SMN2 | |
| SCHEMBL5082858 | 0.75 | PRSS1 (0.67) | PRSS1PRSS2PRSS3ALDH1A1SMN1; SMN2 | |
| SCHEMBL21746252 | 0.73 | PRSS1 (0.48) | PRSS1PRSS2PRSS3ALDH1A1SMN1; SMN2 | |
| SCHEMBL12175336 | 0.73 | PRSS1 (0.64) | PRSS1PRSS2PRSS3ALDH1A1SMN1; SMN2 |
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-111848637-B | Method for synthesizing cis/trans spiro compound containing oxygen nitrogen heteroatom | 扬州大学 | 2021-07-20 | — | — | CN | disclosed |
| CN-111848637-A | Method for synthesizing cis/trans spiro compound containing oxygen nitrogen heteroatom | 扬州大学 | 2020-10-30 | — | — | CN | disclosed |