Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13628708 | 0.77 | — | — | |
| SCHEMBL4730858 | 0.73 | NPC1 (0.42) | — | |
| SCHEMBL10442596 | 0.72 | HCAR2 (0.46) | NPSR1CYP11B1CYP11B2HCAR2ADORA2A | |
| SCHEMBL13628745 | 0.72 | COMT (0.46) | NPSR1CYP11B1CYP11B2HCAR2 | |
| SCHEMBL18410397 | 0.69 | SMPD3 (0.38) | NPSR1CYP11B1CYP11B2HCAR2 | |
| SCHEMBL16936588 | 0.69 | ESR1 (0.33) | — | |
| SCHEMBL390570 | 0.68 | — | — | |
| SCHEMBL13628752 | 0.68 | NPSR1 (0.34) | NPSR1CYP11B1CYP11B2HCAR2 | |
| SCHEMBL24823802 | 0.67 | — | — | |
| SCHEMBL24573403 | 0.67 | ALDH1A1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7612070-B2 | Heterocyclic compounds as antiinflammatory agents and cyclooxygenase inhibitors | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2009-11-03 | — | — | US | disclosed |
| US-7612070-B2 | Heterocyclic compounds as antiinflammatory agents and cyclooxygenase inhibitors | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2009-11-03 | — | — | US | disclosed |