Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL106923 | 0.71 | TDP1 (0.37) | ESR1ESR2 | |
| SCHEMBL5546414 | 0.70 | KMT2A (0.36) | — | |
| SCHEMBL11130173 | 0.67 | TDP1 (0.33) | ESR1ESR2 | |
| SCHEMBL393947 | 0.67 | TDP1 (0.33) | ESR1ESR2 | |
| SCHEMBL11526330 | 0.67 | ADRA2A (0.40) | — | |
| SCHEMBL645558 | 0.65 | ALDH1A1 (0.35) | — | |
| SCHEMBL28489370 | 0.64 | ESR1 (0.34) | ESR1ESR2 | |
| SCHEMBL2970016 | 0.64 | LTA4H (0.41) | — | |
| SCHEMBL7786206 | 0.63 | MAPT (0.36) | — | |
| SCHEMBL7190607 | 0.62 | POLB (0.33) | ESR1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6414173-B1 | TRANSMETALLATION REACTION, COMPRISING: CONTACTING PALLADIUM CATALYST WITH AROYL, ALKANOYL, OR ARALKANOYL ESTER OF ALLYLIC ALCOHOL; AND HYPERVALENT SILICON SPECIES | UNIVERSITY OF MARYLAND | 2002-07-02 | — | — | US | disclosed |