Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 7/20 | 0.56 |
| ▸ | CES2 | O00748 | 6/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 3/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL28241003 | 0.93 | CES2 (0.58) | CES1CES2ALDH1A1CA1 | |
| SCHEMBL108932 | 0.86 | CES2 (0.52) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL6061322 | 0.81 | CES1 (0.62) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL8536724 | 0.79 | CES1 (0.59) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL13967827 | 0.77 | CES1 (0.56) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL104925 | 0.77 | CA1 (0.50) | CES1CES2CA1CA2NFKB1 | |
| SCHEMBL8680600 | 0.77 | CA1 (0.59) | CES1CES2CA1CA2NFKB1 | |
| SCHEMBL7628357 | 0.77 | CA1 (0.59) | CES1CES2CA1CA2NFKB1 | |
| SCHEMBL19973390 | 0.76 | CES2 (0.48) | CES1CES2ALDH1A1TP53 | |
| SCHEMBL106298 | 0.76 | CES2 (0.48) | CES1CES2ALDH1A1TP53 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6603007-B1 | Intermediates in the fields of pharmaceuticals, agrichemicals, ligands, silver halide photosensitive materials, liquid crystals, surfactants, electrophotography and organic electroluminescence | SANKIO CHEMICAL CO., LTD. (JP) | 2003-08-05 | — | — | US | disclosed |
| EP-1231207-A1 | NOVEL BIPYRIDYL DERIVATIVES | Sankio Chemical Co., Ltd. (JP) | 2002-08-14 | — | — | EP | disclosed |