Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1703052 | 0.90 | ALDH1A1 (0.35) | CA1CA9CYP2D6CYP1A2ALDH1A1 | |
| SCHEMBL30486679 | 0.82 | CA1 (0.45) | CA1CA9CYP2D6ALDH1A1LMNA | |
| SCHEMBL8391686 | 0.82 | CA1 (0.45) | CA1CA9CYP2D6ALDH1A1LMNA | |
| SCHEMBL30888466 | 0.80 | CYP1A2 (0.45) | CA1CA9CYP2D6CYP1A2ALDH1A1 | |
| SCHEMBL8194511 | 0.79 | CYP2D6 (0.32) | CA1CA9CYP2D6 | |
| SCHEMBL22166739 | 0.79 | CYP1A2 (0.38) | CA1CA9CYP1A2LMNATP53 | |
| Butyrolactone SCHEMBL1535022 | 0.77 | CA1 (0.44) | CA1CA9ALDH1A1LMNATP53 | |
| SCHEMBL863827 | 0.76 | — | — | |
| SCHEMBL5155772 | 0.76 | — | — | |
| SCHEMBL5156795 | 0.76 | — | — |
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-2004078118-A2 | PROTEIN KINASE C INHIBITOR, RELATED COMPOSITION, AND METHOD OF USE | THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2004-09-16 | — | — | WO | disclosed |