Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.35 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14037701 | 0.83 | SRC (0.44) | ALDH1A1GAACYP2C9CYP2C19KDM4E | |
| SCHEMBL14303655 | 0.79 | LMNA (0.37) | ALDH1A1GAAKDM4ECYP2A6HPGD | |
| SCHEMBL7672985 | 0.79 | EGFR (0.38) | ALDH1A1CYP2C9CYP2C19HPGDTSHR | |
| SCHEMBL19465826 | 0.79 | TP53 (0.38) | GAAKDM4ECYP2A6HPGDRAPGEF4 | |
| SCHEMBL4901095 | 0.79 | SRC (0.41) | ALDH1A1GAACYP2C9CYP2C19KDM4E | |
| SCHEMBL29957309 | 0.79 | ALDH1A1 (0.41) | ALDH1A1GAACYP2C9CYP2C19KDM4E | |
| SCHEMBL29950859 | 0.78 | TYR (0.43) | ALDH1A1GAAKDM4EERN1TSHR | |
| SCHEMBL28299606 | 0.78 | TDP1 (0.55) | ALDH1A1GAAKDM4ESRCERN1 | |
| SCHEMBL28298269 | 0.78 | ALDH1A1 (0.42) | ALDH1A1KDM4EERN1MAPT | |
| SCHEMBL29951047 | 0.77 | KMT2A (0.46) | ALDH1A1GAACYP2C9CYP2C19SRC |
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 |