Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 7/20 | 0.76 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.55 |
| ▸ | MAOB | P27338 | 2/20 | 0.50 |
| ▸ | LDHA | P00338 | 1/20 | 0.48 |
| ▸ | LDHB | P07195 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.47 |
| ▸ | ALDH1B1 | P30837 | 1/20 | 0.47 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7800210 | 0.84 | CA12 (0.58) | NQO1HSD17B3MEN1CYP3A4KMT2A | |
| SCHEMBL14169918 | 0.84 | NQO1 (0.78) | NQO1MAOBKDM4EMEN1CYP3A4 | |
| SCHEMBL8945418 | 0.79 | NQO1 (0.62) | NQO1MAOBKDM4EMEN1CYP3A4 | |
| SCHEMBL8934532 | 0.79 | NQO1 (0.79) | NQO1HSD17B3KDM4EMEN1CYP3A4 | |
| SCHEMBL7807887 | 0.78 | CA12 (0.54) | NQO1HSD17B3 | |
| SCHEMBL7800282 | 0.77 | NQO1 (0.49) | NQO1HSD17B3MAOBKDM4EMAPT | |
| SCHEMBL8945586 | 0.77 | NQO1 (0.58) | NQO1MAOBMAPT | |
| SCHEMBL10795231 | 0.77 | HSD17B3 (0.79) | NQO1HSD17B3KDM4EALDH1A2ALDH1A1 | |
| SCHEMBL12369514 | 0.76 | NQO1 (0.62) | NQO1MAOBKDM4EMEN1CYP3A4 | |
| SCHEMBL8945632 | 0.76 | NQO1 (0.51) | NQO1MAOBMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0861242-B1 | HETEROCYCLIC FUNGICIDES | AVENTIS CROPSCIENCE UK LTD (GB) | 2001-05-30 | — | — | EP | disclosed |
| US-6034121-A | AGRICULTURE | AGREVO UK LIMITED (GB) | 2000-03-07 | — | — | US | disclosed |
| EP-0861242-A1 | HETEROCYCLIC FUNGICIDES | AgrEvo UK Limited (GB) | 1998-09-02 | — | — | EP | disclosed |
| WO-1997013762-A1 | HETEROCYCLIC FUNGICIDES | AGREVO UK LIMITED (GB) | 1997-04-17 | — | — | WO | disclosed |