Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH2 | P25021 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL3669928 | 0.90 | HRH2 (0.33) | HRH2HRH1HRH4HRH3TDP1 | |
| SCHEMBL2627829 | 0.67 | — | — | |
| SCHEMBL11228692 | 0.67 | HRH2 (0.46) | HRH2HRH1HRH4HRH3TDP1 | |
| SCHEMBL12342223 | 0.65 | HRH2 (0.38) | HRH2HRH1HRH4HRH3TDP1 | |
| SCHEMBL2419933 | 0.64 | HRH4 (0.46) | HRH2HRH1HRH4HRH3TDP1 | |
| SCHEMBL25027769 | 0.61 | HRH2 (0.35) | HRH2HRH1HRH4HRH3TDP1 | |
| SCHEMBL3009232 | 0.61 | — | — | |
| SCHEMBL2417016 | 0.59 | HRH2 (0.48) | HRH2HRH1HRH4HRH3TDP1 | |
| SCHEMBL13798573 | 0.59 | HRH2 (0.36) | HRH2HRH1HRH4HRH3TDP1 | |
| SCHEMBL9436244 | 0.58 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2235029-A1 | NICKEL COMPLEXING COMPOUNDS CONTAINING DIARYL SULFIDE LIGANDS | BASF SE (DE) | 2010-10-06 | — | — | EP | disclosed |
| WO-2009083435-A1 | NICKEL COMPLEXING COMPOUNDS CONTAINING DIARYL SULFIDE LIGANDS | BASF SE (DE) | 2009-07-09 | — | — | WO | disclosed |