Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 6/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.46 |
| ▸ | CA7 | P43166 | 3/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | CTSS | P25774 | 6/20 | 0.39 |
| ▸ | CTSK | P43235 | 5/20 | 0.39 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.39 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.39 |
| ▸ | BCL2 | P10415 | 1/20 | 0.39 |
| ▸ | NPR3 | P17342 | 2/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL22398317 | 1.00 | CA12 (0.46) | CA12CA14CA7CA1CA9 | |
| SCHEMBL22398511 | 0.87 | CA12 (0.61) | CA12CA14CA7CA1CA9 | |
| SCHEMBL22398508 | 0.87 | CA12 (0.61) | CA12CA14CA7CA1CA9 | |
| SCHEMBL22398165 | 0.82 | CA12 (0.43) | CA12CA14CA7CA1CA9 | |
| SCHEMBL22398163 | 0.82 | CA12 (0.43) | CA12CA14CA7CA1CA9 | |
| SCHEMBL17486370 | 0.78 | LY96 (0.47) | ITGA4ITGB7NPR3CYP3A4CYP2C8 | |
| SCHEMBL7391582 | 0.77 | KLK5 (0.56) | CTSSCTSKCTSLCTSBITGB3 | |
| SCHEMBL2686297 | 0.77 | CTSS (0.51) | CTSSCTSKITGA4ITGB7CTSL | |
| SCHEMBL7391587 | 0.77 | KLK5 (0.56) | CTSSCTSKCTSLCTSBITGB3 | |
| SCHEMBL5374891 | 0.75 | ACE (0.61) | CTSSCTSKITGA4ITGB7CTSL |
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 |