Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC2 | O75106 | 13/20 | 0.57 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.54 |
| ▸ | MAOA | P21397 | 5/20 | 0.53 |
| ▸ | MAOB | P27338 | 3/20 | 0.53 |
| ▸ | DAO | P14920 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL21780111 | 1.00 | AOC2 (0.57) | AOC2HSD11B1MAOAMAOBDAO | |
| Trifluoroacetic Acid SCHEMBL21768058 | 0.95 | AOC2 (0.53) | AOC2HSD11B1MAOAMAOBDAO | |
| Trifluoroacetic Acid SCHEMBL21768086 | 0.95 | AOC2 (0.53) | AOC2HSD11B1MAOAMAOBDAO | |
| Trifluoroacetic Acid SCHEMBL21768088 | 0.95 | AOC2 (0.53) | AOC2HSD11B1MAOAMAOBDAO | |
| Trifluoroacetic Acid SCHEMBL21768163 | 0.81 | PARP14 (0.43) | AOC2HSD11B1CA12CA1CA2 | |
| Trifluoroacetic Acid SCHEMBL21768095 | 0.81 | PARP14 (0.43) | AOC2HSD11B1CA12CA1CA2 | |
| Trifluoroacetic Acid SCHEMBL30089533 | 0.81 | PARP14 (0.43) | AOC2HSD11B1CA12CA1CA2 | |
| Trifluoroacetic Acid SCHEMBL21768120 | 0.81 | PARP14 (0.43) | AOC2HSD11B1CA12CA1CA2 | |
| Trifluoroacetic Acid SCHEMBL30089559 | 0.81 | PARP14 (0.43) | AOC2HSD11B1CA12CA1CA2 | |
| SCHEMBL21780142 | 0.78 | AOC2 (0.56) | AOC2MAOAMAOBDAOCA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3617186-A1 | FLUOROALLYLAMINE DERIVATIVE AND USE THEREOF | Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) | 2020-03-04 | — | — | EP | disclosed |