Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.32 |
| ▸ | CD44 | P16070 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL6900845 | 0.97 | — | — | |
| SCHEMBL1817956 | 0.78 | — | — | |
| SCHEMBL191201 | 0.78 | — | — | |
| SCHEMBL1817571 | 0.75 | ALDH1A1 (0.36) | ALDH1A1CA1CA2CA9MAPK1 | |
| SCHEMBL1816557 | 0.75 | ALDH1A1 (0.36) | ALDH1A1CA1CA2CA9MAPK1 | |
| SCHEMBL7735306 | 0.75 | CYP1A2 (0.47) | ALDH1A1CYP2A6CYP1A2TSHRACHE | |
| Fluoride SCHEMBL28873958 | 0.74 | ALDH1A1 (0.57) | ALDH1A1CYP2A6CYP1A2TSHRACHE | |
| Isobutane SCHEMBL28911841 | 0.74 | CYP1A2 (0.41) | ALDH1A1CYP2A6CYP1A2TSHRACHE | |
| SCHEMBL29661770 | 0.73 | — | — | |
| SCHEMBL686929 | 0.73 | — | — |
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-109824559-A | A method of by one fluorine methyl mercapto compound of Bunte salt synthesizing aryl | 南京理工大学 | 2019-05-31 | — | — | CN | disclosed |