Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 1/20 | 0.56 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.56 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TNF | P01375 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 3/20 | 0.37 |
| ▸ | CNR2 | P34972 | 3/20 | 0.37 |
| ▸ | TOP2A | P11388 | 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 | |
|---|---|---|---|---|
| SCHEMBL29094249 | 0.93 | PRSS1 (0.65) | PRSS1PRSS2PRSS3ALDH1A1CYP3A4 | |
| SCHEMBL30558728 | 0.93 | PRSS1 (0.65) | PRSS1PRSS2PRSS3ALDH1A1CYP3A4 | |
| SCHEMBL28888722 | 0.82 | ALDH1A1 (0.70) | PRSS1PRSS2PRSS3ALDH1A1CYP3A4 | |
| SCHEMBL29897693 | 0.78 | PRSS1 (0.79) | PRSS1PRSS2PRSS3ALDH1A1CYP3A4 | |
| SCHEMBL3764075 | 0.78 | PRSS1 (0.70) | PRSS1PRSS2PRSS3ALDH1A1CYP3A4 | |
| SCHEMBL11056026 | 0.77 | CDC25B (0.55) | ALDH1A1CA2LMNATSHRMAPK1 | |
| SCHEMBL3772079 | 0.77 | PRSS1 (0.90) | PRSS1PRSS2PRSS3ALDH1A1CYP3A4 | |
| SCHEMBL28117428 | 0.77 | PRSS1 (0.90) | PRSS1PRSS2PRSS3ALDH1A1CYP3A4 | |
| SCHEMBL10387424 | 0.77 | ALDH1A1 (0.58) | ALDH1A1CYP3A4LMNATSHRMAPK1 | |
| SCHEMBL10387044 | 0.75 | TSHR (0.57) | ALDH1A1CYP3A4LMNATSHRMAPK1 |
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-116634990-A | Compositions comprising one or more (bio) -alkanediols with active ingredients | 西姆莱斯股份公司 | 2023-08-22 | — | — | CN | disclosed |