Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 15/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 13/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | TYR | P14679 | 1/20 | 0.48 |
| ▸ | AR | P10275 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.48 |
| ▸ | HTR6 | P50406 | 1/20 | 0.48 |
| ▸ | ESRRG | P62508 | 1/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | SHBG | P04278 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL9827431 | 0.83 | ESR1 (0.39) | ESR1ESR2CYP3A4LMNATYR | |
| SCHEMBL15070049 | 0.83 | TSHR (0.46) | LMNATYRTSHRALDH1A1MEN1 | |
| SCHEMBL1774301 | 0.81 | CYP2C19 (0.41) | ESR1ESR2CYP3A4LMNAALDH1A1 | |
| SCHEMBL6797392 | 0.81 | TSHR (0.46) | ESR1ESR2LMNAARHPGD | |
| SCHEMBL9714500 | 0.80 | ESR1 (0.42) | ESR1ESR2CYP3A4LMNAESRRG | |
| SCHEMBL5166644 | 0.79 | TP53 (0.39) | ESR1ESR2LMNAHPGDTSHR | |
| SCHEMBL9717199 | 0.79 | MEN1 (0.45) | LMNATSHRSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL28276711 | 0.79 | CA1 (0.34) | LMNATSHRALDH1A1MEN1KMT2A | |
| SCHEMBL21701236 | 0.78 | ESR1 (0.56) | ESR1ESR2CYP3A4LMNATYR | |
| Acetaldehyde SCHEMBL28422641 | 0.78 | SHBG (0.53) | ESR1ESR2CYP3A4LMNATYR |
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 |