Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 6/20 | 0.47 |
| ▸ | CA1 | P00915 | 6/20 | 0.47 |
| ▸ | CA2 | P00918 | 6/20 | 0.47 |
| ▸ | CA7 | P43166 | 6/20 | 0.47 |
| ▸ | CA9 | Q16790 | 6/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.47 |
| ▸ | AOC3 | Q16853 | 6/20 | 0.45 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 4/20 | 0.43 |
| ▸ | MAOA | P21397 | 4/20 | 0.43 |
| ▸ | AOC2 | O75106 | 3/20 | 0.43 |
| ▸ | DAO | P14920 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL21768084 | 0.82 | AOC3 (0.52) | CA1CA2CA7CA9CA14 | |
| Trifluoroacetic Acid SCHEMBL21768080 | 0.82 | AOC3 (0.52) | CA1CA2CA7CA9CA14 | |
| Trifluoroacetic Acid SCHEMBL21768159 | 0.82 | AOC3 (0.52) | CA1CA2CA7CA9CA14 | |
| Trifluoroacetic Acid SCHEMBL30089516 | 0.82 | AOC3 (0.52) | CA1CA2CA7CA9CA14 | |
| SCHEMBL21780127 | 0.81 | CA12 (0.45) | CA12CA1CA2CA7CA9 | |
| Trifluoroacetic Acid SCHEMBL21768088 | 0.79 | AOC2 (0.53) | CA12CA1CA2CA7CA9 | |
| Trifluoroacetic Acid SCHEMBL21768058 | 0.79 | AOC2 (0.53) | CA12CA1CA2CA7CA9 | |
| Trifluoroacetic Acid SCHEMBL21768086 | 0.79 | AOC2 (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL21780132 | 0.76 | AOC2 (0.56) | CA1CA2CA7CA9CA14 | |
| SCHEMBL21780142 | 0.76 | AOC2 (0.56) | CA1CA2CA7CA9CA14 |
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-110352188-B | Fluoroallylamine derivatives and use thereof | 四川科伦博泰生物医药股份有限公司 | 2022-11-29 | — | — | CN | disclosed |