Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 8/20 | 0.35 |
| ▸ | CA2 | P00918 | 8/20 | 0.35 |
| ▸ | CA9 | Q16790 | 7/20 | 0.35 |
| ▸ | CA12 | O43570 | 6/20 | 0.35 |
| ▸ | PPM1B | O75688 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | PPP1CC | P36873 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2742456 | 0.87 | CA1 (0.39) | CA1CA2CA9CA12PPM1B | |
| SCHEMBL23968165 | 0.82 | CHRM2 (0.36) | — | |
| SCHEMBL18279758 | 0.82 | CHRM2 (0.36) | — | |
| SCHEMBL29132902 | 0.81 | CA1 (0.38) | CA1CA2CA9CA12PPM1B | |
| SCHEMBL13242445 | 0.81 | CA1 (0.38) | CA1CA2CA9CA12PPM1B | |
| SCHEMBL208304 | 0.81 | CA1 (0.38) | CA1CA2CA9CA12PPM1B | |
| SCHEMBL400097 | 0.81 | CA1 (0.38) | CA1CA2CA9CA12PPM1B | |
| SCHEMBL17451842 | 0.81 | CA1 (0.38) | CA1CA2CA9CA12PPM1B | |
| SCHEMBL17453181 | 0.81 | CA1 (0.38) | CA1CA2CA9CA12PPM1B | |
| SCHEMBL1999668 | 0.77 | TP53 (0.43) | PPM1BPTPN1PPP1CCMAPTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015120580-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-08-20 | — | — | WO | disclosed |