Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2550545 | 0.84 | — | — | |
| SCHEMBL27750844 | 0.78 | CA2 (0.35) | CA12CA1CA2 | |
| SCHEMBL2039967 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL2507765 | 0.76 | MEN1 (0.30) | PIK3CD | |
| N,N-Dimethylethanaminium SCHEMBL9980776 | 0.75 | CA2 (0.33) | CA1CA2 | |
| Trimethylammonium SCHEMBL10696615 | 0.74 | CA2 (0.41) | CA1CA2 | |
| Trimethylammonium SCHEMBL140641 | 0.74 | CA2 (0.41) | CA1CA2 | |
| SCHEMBL91203 | 0.74 | — | — | |
| SCHEMBL11832323 | 0.74 | — | — | |
| SCHEMBL14804679 | 0.74 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0049577-B1 | ALPHA-CYANOPHENOXYBENZYLAMINE DERIVATIVES, PROCESSES FOR PREPARING THEM, AND THEIR USE AS INTERMEDIATES FOR THE PREPARATION OF PYRETHROID INSECTICIDES | ICI AUSTRALIA LIMITED (AU) | 1984-04-11 | — | — | EP | claimed |
| US-4420614-A | CHEMICAL INTERMEDIATES, PYRETHROIDS | ICI AUSTRALIA LIMITED (AU) | 1983-12-13 | — | — | US | claimed |
| EP-0049577-A1 | Alpha-cyanophenoxybenzylamine derivatives, processes for preparing them, and their use as intermediates for the preparation of pyrethroid insecticides | ICI AUSTRALIA LIMITED (AU) | 1982-04-14 | — | — | EP | claimed |