Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | RECQL | P46063 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL66979 | 0.79 | ALDH1A1 (0.52) | KEAP1NFE2L2ALDH1A1TSHRTDP1 | |
| SCHEMBL23380015 | 0.79 | KEAP1 (0.37) | KEAP1NFE2L2ALDH1A1TDP1RAB9A | |
| SCHEMBL19122583 | 0.79 | KEAP1 (0.37) | KEAP1NFE2L2ALDH1A1TDP1RAB9A | |
| SCHEMBL2009844 | 0.79 | KEAP1 (0.38) | KEAP1NFE2L2ALDH1A1TSHRTDP1 | |
| SCHEMBL31633461 | 0.79 | KEAP1 (0.65) | KEAP1NFE2L2ALDH1A1KMT2AL3MBTL1 | |
| SCHEMBL9221929 | 0.78 | TDP1 (0.35) | KEAP1NFE2L2ALDH1A1TDP1MEN1 | |
| SCHEMBL29956180 | 0.78 | ERN1 (0.41) | ALDH1A1TDP1MEN1KMT2ARAB9A | |
| SCHEMBL16479261 | 0.78 | CXCR5 (0.37) | KEAP1NFE2L2ALDH1A1TDP1RAB9A | |
| SCHEMBL28298266 | 0.78 | MEN1 (0.61) | ALDH1A1TDP1MEN1KMT2ARAB9A | |
| SCHEMBL28641344 | 0.77 | ALDH1A1 (0.50) | KEAP1NFE2L2ALDH1A1TSHRTDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109717198-B | Application of A-ring modified neohederazine derivative in prevention and treatment of agricultural plant diseases | 兰州大学 | 2021-01-08 | — | — | CN | disclosed |
| CN-109717198-A | A kind of application of the new cryptolepine derivative of A ring modification in prevention and treatment agricultural plant disease | 兰州大学 | 2019-05-07 | — | — | CN | disclosed |