Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 8/20 | 0.52 |
| ▸ | CA1 | P00915 | 7/20 | 0.52 |
| ▸ | CA2 | P00918 | 7/20 | 0.52 |
| ▸ | CA12 | O43570 | 7/20 | 0.52 |
| ▸ | CA7 | P43166 | 3/20 | 0.52 |
| ▸ | CA4 | P22748 | 1/20 | 0.52 |
| ▸ | CA5A | P35218 | 1/20 | 0.52 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | MGLL | Q99685 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.41 |
| ▸ | IKBKB | O14920 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | TTK | P33981 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21244441 | 1.00 | CA9 (0.52) | CA9CA1CA2CA12CA7 | |
| SCHEMBL23573000 | 0.82 | ALOX5 (0.56) | MEN1KMT2AALOX5MAOBGAA | |
| SCHEMBL21288704 | 0.75 | ALOX5 (0.46) | MEN1KMT2AALOX5MAOBGAA | |
| SCHEMBL21244393 | 0.75 | ALOX5 (0.49) | MEN1KMT2AALOX5MAOBGAA | |
| SCHEMBL29304111 | 0.74 | CA12 (0.59) | CA9CA1CA2CA12CA7 | |
| SCHEMBL21245098 | 0.73 | CA1 (0.47) | CA9CA1CA2CA12CA7 | |
| SCHEMBL9734839 | 0.71 | CA1 (0.50) | CA9CA1CA2CA12CA7 | |
| SCHEMBL21244756 | 0.70 | CA1 (0.51) | CA9CA1CA2CA12CA7 | |
| SCHEMBL8760665 | 0.69 | CA12 (1.00) | CA9CA1CA2CA12CA7 | |
| SCHEMBL1013923 | 0.69 | CA12 (0.69) | CA9CA1CA2CA12CA7 |
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-4013759-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2022-06-22 | — | — | EP | disclosed |