Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | MTNR1A | P48039 | 7/20 | 0.45 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.45 |
| ▸ | NQO2 | P16083 | 2/20 | 0.44 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.41 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.41 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.40 |
| ▸ | SELP | P16109 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9633818 | 0.89 | NQO2 (0.42) | CYP1A2CYP2D6CYP2C19MTNR1AMTNR1B | |
| SCHEMBL9633707 | 0.88 | KMT2A (0.41) | CYP1A2CYP2D6CYP2C19MTNR1AMTNR1B | |
| SCHEMBL9634229 | 0.85 | PPARA (0.43) | MTNR1AMTNR1BNQO2MAPT | |
| SCHEMBL9634970 | 0.84 | NQO2 (0.49) | MTNR1AMTNR1BNQO2 | |
| SCHEMBL9633717 | 0.84 | KMT2A (0.46) | MTNR1AMTNR1BNQO2ALDH1A1 | |
| SCHEMBL9633121 | 0.82 | PLA2G4A (0.42) | CYP1A2CYP2D6CYP2C19MTNR1AMTNR1B | |
| SCHEMBL9633886 | 0.81 | MAPT (0.49) | CYP1A2CYP2D6CYP2C19MTNR1AMTNR1B | |
| SCHEMBL9633804 | 0.81 | NQO2 (0.48) | MTNR1AMTNR1BNQO2MAPT | |
| SCHEMBL9634189 | 0.81 | PLA2G4A (0.41) | CYP1A2CYP2D6CYP2C19MTNR1AMTNR1B | |
| SCHEMBL10469188 | 0.80 | CPT1A (0.49) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0337765-B1 | ACYLSULFONAMIDE DERIVATIVES OF ALPHA-CARBOCYCLYLTOLUIC ACIDS USED AS LEUKOTRIENE ANTAGONISTS | ICI AMERICAS INC. (US) | 1992-10-14 | — | — | EP | disclosed |
| US-5095038-A | Antiinflammatory, antiallergens | ICI AMERICAS INC. (US) | 1992-03-10 | — | — | US | disclosed |
| EP-0337765-A2 | Acylsulfonamide derivatives of alpha-carbocyclyltoluic acids used as leukotriene antagonists | ICI AMERICAS INC. (US) | 1989-10-18 | — | — | EP | disclosed |