Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.63 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | GAA | P10253 | 2/20 | 0.59 |
| ▸ | GFER | P55789 | 1/20 | 0.59 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.47 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.46 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.45 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.45 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.44 |
| ▸ | EGFR | P00533 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | YWHAG | P61981 | 1/20 | 0.41 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.41 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8145260 | 0.85 | ALDH1A1 (0.68) | ALDH1A1GAAGFERHSP90AB1SLC7A5 | |
| SCHEMBL11452699 | 0.83 | GABRA1 (0.69) | GABRA1GABRB2ALDH1A1GAASLC7A5 | |
| SCHEMBL22273409 | 0.81 | ALDH1A1 (0.67) | ALDH1A1GAAGFERHSP90AB1SLC7A5 | |
| SCHEMBL3586640 | 0.80 | ALDH1A1 (0.60) | ALDH1A1GAAGFERHSP90AB1CYP4F2 | |
| SCHEMBL30523630 | 0.79 | ALDH1A1 (0.59) | ALDH1A1GAAGFERHSP90AB1SLC7A5 | |
| SCHEMBL7046438 | 0.79 | ALDH1A1 (0.59) | ALDH1A1GAAGFERHSP90AB1SLC7A5 | |
| SCHEMBL4014182 | 0.79 | CYP4F2 (0.59) | ALDH1A1GAAGFERHSP90AB1CYP4F2 | |
| SCHEMBL29446278 | 0.79 | GAA (0.72) | ALDH1A1GAAGFERHSP90AB1CYP4F2 | |
| SCHEMBL3668882 | 0.79 | GAA (0.72) | ALDH1A1GAAGFERHSP90AB1CYP4F2 | |
| SCHEMBL318750 | 0.78 | GABRA1 (1.00) | GABRA1GABRB2ALDH1A1HSP90AB1SLC7A5 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0882029-B1 | HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS | MERCK & CO INC (US) | 2003-04-02 | — | — | EP | disclosed |
| US-6090836-A | DIETETICS; ADJUSTMENT OF TRIGLYCERIDE CONCENTRATION | MERCK & CO., INC. (US) | 2000-07-18 | — | — | US | disclosed |
| EP-0882029-A1 | HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS | Merck & Co., Inc. (US) | 1998-12-09 | — | — | EP | disclosed |
| WO-1997028137-A1 | HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS | MERCK & CO., INC. (US) | 1997-08-07 | — | — | WO | disclosed |