Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.54 |
| ▸ | ABL1 | P00519 | 1/20 | 0.49 |
| ▸ | EGFR | P00533 | 1/20 | 0.49 |
| ▸ | PRKCA | P17252 | 1/20 | 0.49 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.47 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | PIM1 | P11309 | 1/20 | 0.47 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.47 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL834528 | 0.87 | CYP2A6 (0.44) | CYP19A1ABL1EGFRPRKCAPRKCD | |
| SCHEMBL830046 | 0.87 | CYP19A1 (0.54) | CYP19A1NPC1CYP2A6HSP90AA1HSP90AB1 | |
| SCHEMBL834263 | 0.87 | CYP19A1 (0.54) | CYP19A1ABL1PRKCAPRKCDRAB9A | |
| SCHEMBL834140 | 0.83 | MEN1 (0.52) | RAB9AHSP90AA1ALDH1A1POLBMAPT | |
| SCHEMBL835233 | 0.80 | PTGS2 (0.40) | CYP19A1NPC1CYP2A6CYP3A4CYP1A2 | |
| SCHEMBL28446762 | 0.80 | CYP19A1 (0.60) | CYP19A1ABL1EGFRPRKCAPRKCD | |
| SCHEMBL29724210 | 0.80 | CYP19A1 (0.60) | CYP19A1ABL1EGFRPRKCAPRKCD | |
| SCHEMBL830492 | 0.79 | ALDH1A1 (0.64) | RAB9ANPC1ALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL25735645 | 0.77 | CYP19A1 (0.56) | CYP19A1ABL1EGFRPRKCAPRKCD | |
| SCHEMBL30785740 | 0.77 | CYP19A1 (0.56) | CYP19A1ABL1EGFRPRKCAPRKCD |
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 |