Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 5/20 | 0.36 |
| ▸ | PPARG | P37231 | 2/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | RET | P07949 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 2/20 | 0.31 |
| ▸ | TEAD1 | P28347 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL3680893 | 1.00 | TSHR (0.43) | TSHRPTPN1PPARGPPARAKDM4E | |
| SCHEMBL1979984 | 0.82 | TSHR (0.43) | TSHRPTPN1PPARGPPARAKDM4E | |
| SCHEMBL695938 | 0.78 | POLB (0.30) | — | |
| SCHEMBL21065809 | 0.76 | TSHR (0.53) | TSHRPTPN1PPARGPPARAKDM4E | |
| SCHEMBL1169872 | 0.70 | TSHR (0.53) | TSHRPTPN1PPARGPPARAKDM4E | |
| SCHEMBL12896348 | 0.70 | TSHR (0.53) | TSHRPTPN1PPARGPPARAKDM4E | |
| SCHEMBL10278584 | 0.70 | TSHR (0.53) | TSHRPTPN1PPARGPPARAKDM4E | |
| SCHEMBL12896347 | 0.70 | TSHR (0.53) | TSHRPTPN1PPARGPPARAKDM4E | |
| SCHEMBL3665376 | 0.67 | TEAD1 (0.32) | TSHRPPARGPPARATEAD1 | |
| SCHEMBL12305007 | 0.66 | TSHR (0.57) | TSHRPTPN1PPARGPPARAKDM4E |
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-3239145-A1 | 1-[2-[3,5-SUBSTITUTED-1H-PYRAZOL-1-YL]ACETYL]-4-PIPERIDINE-CARBONITRILE AND -CARBOTHIAMIDE DERIVATIVES AS INTERMEDIATES IN THE PREPARATION OF FUNGICIDES FOR CROP PROTECTION | E. I. du Pont de Nemours and Company (US) | 2017-11-01 | — | — | EP | disclosed |
| 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 |
| WO-2008013622-A2 | FUNGICIDAL AZOCYCLIC AMIDES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2008-01-31 | — | — | WO | disclosed |