Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.61 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.61 |
| ▸ | CA7 | P43166 | 3/20 | 0.61 |
| ▸ | CA1 | P00915 | 1/20 | 0.61 |
| ▸ | CA9 | Q16790 | 2/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.52 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.52 |
| ▸ | CTSS | P25774 | 2/20 | 0.51 |
| ▸ | CTSL | P07711 | 1/20 | 0.51 |
| ▸ | CTSB | P07858 | 1/20 | 0.51 |
| ▸ | CTSK | P43235 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 3/20 | 0.49 |
| ▸ | ACE | P12821 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.48 |
| ▸ | AKT1 | P31749 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL22398508 | 1.00 | CA12 (0.61) | CA12CA14CA7CA1CA9 | |
| SCHEMBL22398319 | 0.87 | CA12 (0.46) | CA12CA14CA7CA1CA9 | |
| SCHEMBL22398317 | 0.87 | CA12 (0.46) | CA12CA14CA7CA1CA9 | |
| SCHEMBL22398165 | 0.83 | CA12 (0.43) | CA12CA14CA7CA1CA9 | |
| SCHEMBL22398163 | 0.83 | CA12 (0.43) | CA12CA14CA7CA1CA9 | |
| SCHEMBL12226075 | 0.81 | CA12 (0.60) | CA12CA14CA7CA1CTSS | |
| SCHEMBL16459752 | 0.81 | CTSS (0.68) | ITGA4ITGB7CTSSCTSLCTSB | |
| SCHEMBL16459753 | 0.81 | CTSS (0.68) | ITGA4ITGB7CTSSCTSLCTSB | |
| SCHEMBL18435382 | 0.81 | CTSS (0.68) | ITGA4ITGB7CTSSCTSLCTSB | |
| SCHEMBL12226074 | 0.81 | CA1 (0.56) | CA12CA14CA7CA1CA2 |
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-3705471-A1 | DOUBLE-HEADED PROTEASE INHIBITOR | UBE Industries, Ltd. (JP) | 2020-09-09 | — | — | EP | disclosed |