Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 9/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | GMNN | O75496 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8669085 | 0.83 | NR1H2 (0.44) | CA2NR1H2ESR1ESR2KIF11 | |
| SCHEMBL776327 | 0.78 | ALDH1A1 (0.48) | CYP3A4HIF1AHSD17B10NPC1ALDH1A1 | |
| SCHEMBL10937536 | 0.78 | CA2 (0.40) | CA2NR1H2ESR1ESR2KIF11 | |
| SCHEMBL11115565 | 0.75 | — | — | |
| SCHEMBL24010139 | 0.72 | CA2 (0.42) | CA2NR1H2ESR1ESR2HSP90AA1 | |
| SCHEMBL10889709 | 0.71 | ESR2 (0.36) | ESR1ESR2CYP3A4ALOX15RECQL | |
| SCHEMBL811000 | 0.71 | HSP90AA1 (0.36) | CA2NR1H2ESR1ESR2HSP90AA1 | |
| SCHEMBL811769 | 0.71 | HSP90AA1 (0.36) | CA2NR1H2ESR1ESR2HSP90AA1 | |
| Hydroquinone SCHEMBL7940837 | 0.70 | ESR1 (0.48) | CA2ESR1ESR2KIF11LMNA | |
| SCHEMBL10437216 | 0.70 | NR1H2 (0.50) | CA2NR1H2ESR1ESR2HSP90AA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4556650-A | INSECTICIDES, MITICIDES AND NEMATOCIDES | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1985-12-03 | — | — | US | disclosed |
| EP-0097270-B1 | ORGANOPHOSPHATE DERIVATIVES | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1985-08-28 | — | — | EP | disclosed |
| US-4535076-A | INSECTICIDES; MITICIDES, NEMATOCIDES | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1985-08-13 | — | — | US | disclosed |
| EP-0097270-A1 | Organophosphate derivatives | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1984-01-04 | — | — | EP | disclosed |