Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 7/20 | 0.41 |
| ▸ | CA1 | P00915 | 6/20 | 0.41 |
| ▸ | CA9 | Q16790 | 4/20 | 0.41 |
| ▸ | CA5A | P35218 | 3/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
| ▸ | GSTO1 | P78417 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | IKBKB | O14920 | 1/20 | 0.35 |
| ▸ | CHUK | O15111 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1714726 | 0.80 | PNMT (0.50) | CA2CA1CA9CA5ACA7 | |
| SCHEMBL31621229 | 0.77 | RECQL (0.43) | SLC6A2SLC6A4SLC6A3KDM4ECASP6 | |
| SCHEMBL5621122 | 0.76 | ERCC1 (0.43) | CA2CA1CA9CA5ACA7 | |
| SCHEMBL27859143 | 0.76 | CSNK2A1 (0.47) | — | |
| SCHEMBL20758770 | 0.75 | CA1 (0.44) | CA2CA1CA9CA5ACA7 | |
| SCHEMBL5011758 | 0.74 | PNMT (0.44) | CA2CA1CA9CA5ACA7 | |
| SCHEMBL22266022 | 0.73 | CA2 (0.61) | CA2CA1CA9CA5ACA7 | |
| SCHEMBL15471848 | 0.73 | TAAR1 (0.62) | ALDH1A1MAPTSLC6A2SLC6A3KDM4E | |
| SCHEMBL30707413 | 0.72 | TRPA1 (0.43) | KIF11 | |
| SCHEMBL1244867 | 0.72 | KDM4E (0.47) | CA2CA1CA9CA5ACA7 |
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-3784666-A1 | ANTIPROLIFERATION COMPOUNDS AND USES THEREOF | Merck Patent GmbH (DE) | 2021-03-03 | — | — | EP | disclosed |