Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 5/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.35 |
| ▸ | QDPR | P09417 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.30 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL18534770 | 0.85 | BACE1 (0.40) | HDAC1HDAC2HDAC3BACE1ESR2 | |
| SCHEMBL26345314 | 0.77 | ESR2 (0.35) | BACE1ESR2QDPRKCNH2 | |
| SCHEMBL843886 | 0.74 | HDAC1 (0.44) | HDAC1HDAC2HDAC3BACE1ESR2 | |
| SCHEMBL18380986 | 0.74 | ESR2 (0.40) | HDAC1HDAC2HDAC3ESR2QDPR | |
| SCHEMBL21095393 | 0.74 | PDE4B (0.49) | HRH3 | |
| SCHEMBL6935620 | 0.71 | HDAC1 (0.41) | HDAC1HDAC2HDAC3BACE1ESR2 | |
| SCHEMBL12322466 | 0.70 | CASP1 (0.37) | KCNH2HRH3 | |
| SCHEMBL24073469 | 0.69 | HDAC1 (0.41) | HDAC1HDAC2HDAC3BACE1ESR2 | |
| SCHEMBL19062075 | 0.69 | CYP3A4 (0.48) | HDAC1HDAC2HDAC3BACE1ESR2 | |
| SCHEMBL20093140 | 0.69 | CA12 (0.41) | HDAC1HDAC2HDAC3BACE1ESR2 |
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-2763990-B1 | PYRROLOPYRAZINE KINASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2017-02-22 | — | — | EP | disclosed |