Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | PRKACA | P17612 | 1/20 | 0.30 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.30 |
| ▸ | GSK3B | P49841 | 1/20 | 0.30 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.30 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.30 |
| ▸ | CACNG8 | Q8WXS5 | 1/20 | 0.30 |
| ▸ | CACNG2 | Q9Y698 | 1/20 | 0.30 |
| ▸ | PTGER4 | P35408 | 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 | |
|---|---|---|---|---|
| SCHEMBL18156764 | 0.84 | ESR1 (0.39) | RECQLESR1ESR2PRKACARPS6KB1 | |
| SCHEMBL22423178 | 0.83 | PTGER4 (0.30) | PTGER4 | |
| SCHEMBL18156765 | 0.78 | ESR1 (0.37) | RECQLESR1ESR2PRKACARPS6KB1 | |
| SCHEMBL18156731 | 0.76 | ESR1 (0.38) | RECQLESR1ESR2PRKACARPS6KB1 | |
| SCHEMBL20224492 | 0.76 | RECQL (0.36) | RECQLESR1ESR2PRKACARPS6KB1 | |
| SCHEMBL18156738 | 0.74 | ESR1 (0.42) | RECQLESR1ESR2PRKACARPS6KB1 | |
| SCHEMBL20224493 | 0.73 | SIRT2 (0.33) | ESR1ESR2PTGER4 | |
| SCHEMBL18156735 | 0.73 | RECQL (0.38) | RECQLESR1ESR2PRKACARPS6KB1 | |
| SCHEMBL18156732 | 0.72 | ESR1 (0.39) | RECQLESR1ESR2PRKACARPS6KB1 | |
| SCHEMBL20248537 | 0.72 | RECQL (0.35) | RECQLESR1ESR2PRKACARPS6KB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3083880-B1 | HETEROCYCLIC SPIRO COMPOUNDS | MERCK PATENT GMBH (DE) | 2020-04-01 | — | — | EP | disclosed |