Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 2/20 | 0.32 |
| ▸ | TRPV4 | Q9HBA0 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| Benzenethiol SCHEMBL27413317 | 0.87 | — | — | |
| Benzenethiol SCHEMBL6400615 | 0.87 | ALDH1A1 (0.40) | TSHRCA1CA2ALDH1A1IDO1 | |
| Benzenethiol SCHEMBL29028083 | 0.85 | TSHR (0.41) | TSHRTRPA1ALDH1A1CYP1A1CYP1A2 | |
| Benzenethiol SCHEMBL27833549 | 0.85 | TSHR (0.41) | TSHRCA1CA2TRPA1ALDH1A1 | |
| Benzenethiol SCHEMBL7055669 | 0.83 | — | — | |
| Benzenethiol SCHEMBL2574156 | 0.83 | ALDH1A1 (0.43) | TSHRCA1CA2ALDH1A1IDO1 | |
| Benzenethiol SCHEMBL67 | 0.83 | — | — | |
| SCHEMBL22047568 | 0.83 | ALDH1A1 (0.43) | TSHRCA1CA2ALDH1A1IDO1 | |
| Benzenethiol SCHEMBL490106 | 0.83 | ALDH1A1 (0.43) | TSHRCA1CA2ALDH1A1IDO1 | |
| Benzenethiol SCHEMBL28862443 | 0.83 | ALDH1A1 (0.43) | TSHRCA1CA2ALDH1A1IDO1 |
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-117482076-A | Application of methionine compound in preparation of PCSK9 inhibitor | 中国人民解放军陆军军医大学第二附属医院 | 2024-02-02 | — | — | CN | disclosed |