Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4F2 | P78329 | 1/20 | 0.42 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.42 |
| ▸ | RXRA | P19793 | 1/20 | 0.37 |
| ▸ | RXRB | P28702 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | EP300 | Q09472 | 1/20 | 0.33 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.33 |
| ▸ | KAT8 | Q9H7Z6 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13548280 | 0.82 | TRPA1 (0.39) | KIF11MAPK1GAAMAPTTAAR1 | |
| SCHEMBL4349492 | 0.80 | LOXL2 (0.41) | GAATAAR1 | |
| SCHEMBL4349379 | 0.80 | GAA (0.33) | HTTPTGS2MAPK1GAATAAR1 | |
| SCHEMBL13548266 | 0.78 | CNR1 (0.41) | HSD17B10MAPTTAAR1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL9408630 | 0.78 | GAA (0.36) | HTTPTGS2MAPK1GAATAAR1 | |
| SCHEMBL7175390 | 0.78 | RXRA (0.50) | RXRARXRBHSD17B10GAAMAPT | |
| SCHEMBL13547901 | 0.77 | ESR1 (0.39) | — | |
| SCHEMBL26606596 | 0.74 | CYP4F2 (0.39) | CYP4F2CYP4A11RXRARXRBHTT | |
| SCHEMBL8467020 | 0.74 | ALDH1A1 (0.49) | CYP4F2CYP4A11HTTMAPK1GAA | |
| SCHEMBL24818991 | 0.73 | APP (0.46) | APPEP300KAT2BKAT8GAA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0623601-A1 | N-(3-Fluorobenzyl)heterocyclic derivatives and their use as pesticides | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1994-11-09 | — | — | EP | disclosed |