Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 13/20 | 0.41 |
| ▸ | CA1 | P00915 | 12/20 | 0.41 |
| ▸ | CA7 | P43166 | 12/20 | 0.41 |
| ▸ | CA9 | Q16790 | 12/20 | 0.41 |
| ▸ | CA12 | O43570 | 11/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 11/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TRAP1 | Q12931 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HSP90B1 | P14625 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23628479 | 0.84 | CA12 (0.42) | CA2CA1CA7CA9CA12 | |
| SCHEMBL21962267 | 0.82 | CA12 (0.55) | ENPP2CA2CA1CA7CA9 | |
| SCHEMBL23628474 | 0.80 | CA2 (0.39) | CA2CA1CA7CA9CA12 | |
| SCHEMBL23628467 | 0.77 | CA1 (0.63) | CA2CA1CA7CA9CA12 | |
| SCHEMBL23628460 | 0.77 | CA2 (0.39) | CA2CA1CA7CA9CA12 | |
| SCHEMBL23628478 | 0.75 | CA2 (0.41) | CA2CA1CA7CA9CA12 | |
| SCHEMBL29787231 | 0.75 | NEU3 (0.57) | CA2CA1CA7CA9CA12 | |
| SCHEMBL2777527 | 0.75 | NEU3 (0.57) | CA2CA1CA7CA9CA12 | |
| SCHEMBL23628458 | 0.74 | CA2 (0.51) | CA2CA1CA7CA9CA12 | |
| SCHEMBL23628462 | 0.74 | CA2 (0.58) | CA2CA1CA7CA9CA12 |
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 |