Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | CTSK | P43235 | 5/20 | 0.42 |
| ▸ | CTSS | P25774 | 3/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL7219012 | 0.88 | CTSK (0.51) | NOS2CTSKCTSSCYP19A1 | |
| SCHEMBL7215604 | 0.79 | CYP2A6 (0.43) | NOS2KCNH2CTSKCTSSCYP19A1 | |
| SCHEMBL4963448 | 0.78 | MBOAT4 (0.40) | CTSKCTSSCYP19A1ALDH1A1TSHR | |
| SCHEMBL18517735 | 0.77 | CTSK (0.47) | NOS2CTSKCTSSCYP19A1 | |
| SCHEMBL22091846 | 0.74 | NOS2 (0.52) | NOS2KCNH2ESR1ESR2ALDH1A1 | |
| SCHEMBL433374 | 0.74 | NOS2 (0.74) | NOS2KCNH2ESR1ESR2 | |
| SCHEMBL1188168 | 0.72 | NOS2 (0.50) | NOS2KCNH2ESR1ESR2 | |
| Bromide SCHEMBL10756616 | 0.72 | NOS2 (0.50) | NOS2KCNH2ESR1ESR2ALDH1A1 | |
| SCHEMBL7219805 | 0.72 | NOS2 (0.42) | NOS2CTSKCTSSESR1ESR2 | |
| SCHEMBL7213728 | 0.72 | KDM4E (0.49) | CYP19A1ALDH1A1TSHRHSD17B10 |
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 |