Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | CCR2 | P41597 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | CFTR | P13569 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | VNN1 | O95497 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29386535 | 0.86 | GLA (0.50) | MAOAMAOBALDH1A1KDM1ALMNA | |
| SCHEMBL18405 | 0.86 | GLA (0.50) | MAOAMAOBALDH1A1KDM1ALMNA | |
| SCHEMBL10584452 | 0.84 | MEP1A (0.43) | MAOAMAOBALDH1A1KDM1ALMNA | |
| SCHEMBL9714610 | 0.81 | MAOB (0.46) | MAOAMAOBKDM1ATSHRCYP19A1 | |
| SCHEMBL27865295 | 0.81 | TSHR (0.52) | ALDH1A1LMNATSHRCYP3A4TDP1 | |
| SCHEMBL9714810 | 0.81 | ENPP2 (0.42) | MAOBLMNATSHRCYP3A4TDP1 | |
| (Chloromethyl)Benzene SCHEMBL304085 | 0.76 | CYP3A4 (0.60) | ALDH1A1LMNATSHRCYP19A1CYP3A4 | |
| SCHEMBL9714816 | 0.75 | SLC6A2 (0.34) | MAOAMAOBTSHRSLC6A2SLC6A4 | |
| SCHEMBL9714857 | 0.75 | APP (0.34) | TSHRMRGPRX4CYP3A4TDP1 | |
| SCHEMBL9714779 | 0.75 | CYP3A4 (0.33) | MAOAMAOBALDH1A1LMNATSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-5166210-A | QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 | RHONE-POULENC RORER PHARMACEUTICALS INC. (US) | 1992-11-24 | — | — | US | disclosed |
| US-5028615-A | Treatment of hypersensitivity | RHONE-POULENC RORER PHARMACEUTICALS INC. (US) | 1991-07-02 | — | — | US | disclosed |
| US-4920133-A | Quinoline derivatives and use thereof as antagonists of leukotriene D4 | RORER PHARMACEUTICAL CORP. (US) | 1990-04-24 | — | — | US | disclosed |