Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | BLM | P54132 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | TRIM24 | O15164 | 2/20 | 0.42 |
| ▸ | TRIM33 | Q9UPN9 | 2/20 | 0.42 |
| ▸ | ERN1 | O75460 | 3/20 | 0.38 |
| ▸ | TLR2 | O60603 | 1/20 | 0.36 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.36 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | MC4R | P32245 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16470058 | 0.79 | TDP1 (0.42) | ALDH1A1TSHRLMNABLMMEN1 | |
| SCHEMBL19901060 | 0.79 | ALDH1A1 (0.35) | ALDH1A1TSHRLMNABLMMEN1 | |
| SCHEMBL23695446 | 0.79 | ALDH1A1 (0.35) | ALDH1A1TSHRLMNABLMMEN1 | |
| SCHEMBL29954239 | 0.78 | ERN1 (0.55) | ALDH1A1TSHRLMNABLMMEN1 | |
| SCHEMBL28873592 | 0.78 | ERN1 (0.52) | ALDH1A1TSHRLMNABLMMEN1 | |
| SCHEMBL16119586 | 0.78 | ALDH1A1 (0.45) | ALDH1A1TSHRLMNABLMMEN1 | |
| SCHEMBL29954220 | 0.77 | ALDH1A1 (0.48) | ALDH1A1TSHRLMNAMEN1KMT2A | |
| SCHEMBL1006539 | 0.77 | CYP1A2 (0.45) | ALDH1A1TSHRLMNABLMMEN1 | |
| SCHEMBL15009404 | 0.76 | SCN5A (0.46) | ALDH1A1TSHRLMNABLMMEN1 | |
| Dimethylamine SCHEMBL9506336 | 0.76 | ALDH1A1 (0.86) | ALDH1A1TSHRLMNABLMMEN1 |
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 |