Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL97574 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL5197032 | 0.91 | CA2 (0.47) | CA2KDM4ECYP3A4CA1USP2 | |
| SCHEMBL29011136 | 0.91 | CA2 (0.47) | CA2KDM4ECYP3A4CA1USP2 | |
| SCHEMBL30435549 | 0.87 | CA2 (0.53) | CA2KDM4ECYP3A4CA1TSHR | |
| SCHEMBL20380413 | 0.78 | — | — | |
| Alcohol SCHEMBL5324149 | 0.78 | CA2 (0.44) | CA2KDM4ECYP3A4CA1TSHR | |
| Piperazine SCHEMBL3986059 | 0.75 | HIF1A (0.38) | CA2CYP3A4TSHR | |
| Propylamine SCHEMBL17338129 | 0.73 | TRPA1 (0.36) | CA2CA1TSHR | |
| SCHEMBL24923432 | 0.72 | — | — | |
| SCHEMBL15706707 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4178950-A1 | REAGENTS FOR THE POLYFLUOROALKYLTHIOLATION OF ORGANIC COMPOUNDS AND METHOD FOR PRODUCTION THEREOF | Universitat Rovira I Virgili (ES) | 2023-05-17 | — | — | EP | disclosed |
| CN-116057048-A | Reagents for polyfluoroalkyl thiolation of organic compounds and methods for their production | 罗维拉威尔吉利大学 | 2023-05-02 | — | — | CN | disclosed |