Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | TOP2A | P11388 | 1/20 | 0.34 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4370997 | 1.00 | CES2 (0.34) | CES2CES1TOP2ATOP2B | |
| SCHEMBL4382702 | 0.81 | CES2 (0.35) | CES2CES1TOP2ATOP2B | |
| SCHEMBL13893272 | 0.81 | CES2 (0.35) | CES2CES1TOP2ATOP2B | |
| Hydrochloric Acid SCHEMBL14895475 | 0.78 | ALDH1A1 (0.40) | — | |
| SCHEMBL15204360 | 0.76 | ALDH1A1 (0.35) | CES2CES1TOP2ATOP2B | |
| SCHEMBL15129288 | 0.75 | TOP2A (0.32) | CES2CES1TOP2ATOP2B | |
| SCHEMBL2933107 | 0.68 | CES2 (0.35) | CES2CES1TOP2ATOP2B | |
| SCHEMBL27005634 | 0.67 | TOP2A (0.32) | CES2CES1TOP2ATOP2B | |
| SCHEMBL16154390 | 0.67 | GSK3B (0.37) | CES2CES1TOP2ATOP2B | |
| SCHEMBL13759869 | 0.67 | CES2 (0.34) | CES2CES1TOP2ATOP2B |
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-2009055631-A1 | CALCILYTIC COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2009-04-30 | — | — | WO | disclosed |