Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | AR | P10275 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | RET | P07949 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL24922930 | 0.75 | NISCH (0.38) | MAOBALDH1A1KMT2A | |
| SCHEMBL11341730 | 0.75 | PARP1 (0.39) | KDM4EADORA3HSD17B10ARMAOB | |
| SCHEMBL8576377 | 0.69 | KDM4E (0.40) | KDM4EALDH1A1TSHRKMT2ANPC1 | |
| SCHEMBL10445757 | 0.69 | MAOB (0.39) | KDM4EADORA3HSD17B10ARMAOB | |
| SCHEMBL22623757 | 0.68 | MEN1 (0.56) | KDM4EHSD17B10CYP1A2ALDH1A1GAA | |
| SCHEMBL2173695 | 0.68 | MEN1 (0.56) | KDM4EHSD17B10CYP1A2ALDH1A1GAA | |
| SCHEMBL13206625 | 0.68 | MEN1 (0.56) | KDM4EHSD17B10CYP1A2ALDH1A1GAA | |
| SCHEMBL69727 | 0.67 | RET (0.53) | KDM4EADORA3HSD17B10ARMAOB | |
| SCHEMBL24247620 | 0.67 | KDM4E (0.53) | KDM4EHSD17B10ALDH1A1GAALMNA | |
| SCHEMBL9172583 | 0.66 | PARP1 (0.43) | KDM4EADORA3HSD17B10ARMAOB |
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-3239137-A1 | (5R)-4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AS WELL AS 1-(2-CHLOROACETYL)-4-PIPERIDINE-CARBONITRILE AND -CARBOXAMIDE DERIVATIVES AS INTERMEDIATES IN THE PREPARATION OF E.G. 4-[4-[(5R)-4,5-DIHYDRO-ISOXAZOL-3-YL]-THIAZOL-2-YL]-PIPERIDINE DERIVATIVES AS FUNGICIDES FOR CROP PROTECTION | E. I. du Pont de Nemours and Company (US) | 2017-11-01 | — | — | EP | disclosed |