Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3759349 | 0.73 | CA1 (0.46) | CA1CA2ALDH1A1HPGDPOLB | |
| SCHEMBL22680593 | 0.71 | CA1 (0.39) | CA1CA2 | |
| SCHEMBL22680587 | 0.67 | CA1 (0.32) | CA1CA2ALDH1A1 | |
| SCHEMBL21737663 | 0.66 | — | — | |
| SCHEMBL11282460 | 0.66 | — | — | |
| SCHEMBL21737096 | 0.66 | — | — | |
| SCHEMBL11282491 | 0.66 | — | — | |
| SCHEMBL5572071 | 0.64 | — | — | |
| SCHEMBL3940930 | 0.64 | — | — | |
| SCHEMBL92830 | 0.62 | CA1 (0.44) | CA1CA2ALDH1A1HPGDPOLB |
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-2016044585-A1 | ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF | Epizyme, Inc. (US) | 2016-03-24 | — | — | WO | disclosed |