Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 18/20 | 0.41 |
| ▸ | CA1 | P00915 | 16/20 | 0.38 |
| ▸ | CA9 | Q16790 | 12/20 | 0.38 |
| ▸ | CA12 | O43570 | 7/20 | 0.38 |
| ▸ | CA7 | P43166 | 7/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 7/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23628462 | 0.83 | CA2 (0.58) | CA2CA1CA9CA12CA7 | |
| SCHEMBL18668466 | 0.81 | CA2 (0.48) | CA2CA1CA9CA12CA7 | |
| SCHEMBL23628474 | 0.76 | CA2 (0.39) | CA2CA1CA9CA12CA7 | |
| SCHEMBL23628458 | 0.76 | CA2 (0.51) | CA2CA1CA9CA12CA7 | |
| SCHEMBL23628467 | 0.76 | CA1 (0.63) | CA2CA1CA9CA12CA7 | |
| SCHEMBL23628465 | 0.75 | ENPP2 (0.45) | CA2CA1CA9CA12CA7 | |
| SCHEMBL20421466 | 0.73 | CA2 (0.50) | CA2CA1CA9CA12CA7 | |
| SCHEMBL23628490 | 0.71 | CA2 (0.49) | CA2CA1CA9CA12CA7 | |
| SCHEMBL23628470 | 0.70 | CA2 (0.45) | CA2CA1CA9CA12CA7 | |
| SCHEMBL23628460 | 0.70 | CA2 (0.39) | CA2CA1CA9CA12CA7 |
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-3353178-B1 | BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS | HOFFMANN LA ROCHE (CH) | 2021-07-14 | — | — | EP | claimed |