Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 7/20 | 0.45 |
| ▸ | CA1 | P00915 | 7/20 | 0.45 |
| ▸ | CA2 | P00918 | 7/20 | 0.45 |
| ▸ | CA7 | P43166 | 7/20 | 0.45 |
| ▸ | CA9 | Q16790 | 7/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 7/20 | 0.45 |
| ▸ | HHAT | Q5VTY9 | 3/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | TRPM8 | Q7Z2W7 | 4/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21780130 | 0.83 | KMT2A (0.47) | CYP2D6DRD2 | |
| Trifluoroacetic Acid SCHEMBL28901212 | 0.81 | CA12 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL21780054 | 0.75 | AOC3 (0.50) | CA12CA1CA2CA9 | |
| SCHEMBL21768043 | 0.75 | AOC3 (0.50) | CA12CA1CA2CA9 | |
| SCHEMBL23718599 | 0.75 | AOC3 (0.50) | CA12CA1CA2CA9 | |
| SCHEMBL21780050 | 0.73 | AOC3 (0.49) | HDAC1HDAC8 | |
| SCHEMBL21780085 | 0.73 | CA1 (0.40) | CA1CA2CA7CA9CA14 | |
| SCHEMBL21768135 | 0.72 | AOC3 (0.49) | CA12CA1CA2CA9 | |
| SCHEMBL21780044 | 0.72 | AOC3 (0.49) | CA12CA1CA2CA9 | |
| SCHEMBL23718635 | 0.72 | AOC3 (0.49) | CA12CA1CA2CA9 |
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 |