Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 10/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 9/20 | 0.50 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.50 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7574632 | 0.85 | ESR1 (0.48) | ESR1ESR2PDCD1CD274CYP2C9 | |
| SCHEMBL9827431 | 0.81 | ESR1 (0.39) | ESR1ESR2PDCD1CD274CYP2C9 | |
| SCHEMBL8663245 | 0.78 | FFAR2 (0.47) | TDP1LMNATYRHIF1A | |
| SCHEMBL9979942 | 0.78 | CYP1A2 (0.39) | CYP1A2CYP2C19TYRALDH1A1SMN1; SMN2 | |
| SCHEMBL12361451 | 0.78 | ESR1 (0.50) | ESR1ESR2PDCD1CD274CYP2C9 | |
| SCHEMBL13827629 | 0.78 | ESR1 (0.50) | ESR1ESR2PDCD1CD274CYP2C9 | |
| SCHEMBL351626 | 0.77 | ESR1 (0.54) | ESR1ESR2PDCD1CD274CYP2C9 | |
| SCHEMBL3503957 | 0.77 | CYP2D6 (0.41) | LMNACYP2D6ALDH1A1KDM4EHIF1A | |
| SCHEMBL13827770 | 0.77 | ESR1 (0.48) | ESR1ESR2PDCD1CD274CYP2C9 | |
| SCHEMBL14220303 | 0.77 | ESR1 (0.48) | ESR1ESR2PDCD1CD274CYP2C9 |
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 |