Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CLPP | Q16740 | 1/20 | 0.52 |
| ▸ | PPARG | P37231 | 1/20 | 0.52 |
| ▸ | PPARD | Q03181 | 1/20 | 0.52 |
| ▸ | PPARA | Q07869 | 1/20 | 0.52 |
| ▸ | MLYCD | O95822 | 1/20 | 0.51 |
| ▸ | VNN1 | O95497 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.49 |
| ▸ | CNR2 | P34972 | 1/20 | 0.48 |
| ▸ | SORT1 | Q99523 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL29062006 | 0.80 | LRRK2 (0.65) | LRRK2MEN1GAAKMT2A | |
| SCHEMBL15847451 | 0.80 | MLYCD (0.64) | MLYCDVNN1LMNAHPGDMEN1 | |
| SCHEMBL30530156 | 0.80 | LRRK2 (0.65) | LRRK2MEN1GAAKMT2A | |
| SCHEMBL25373272 | 0.80 | MRGPRX4 (0.52) | CLPPPPARGPPARDPPARALMNA | |
| SCHEMBL3417343 | 0.79 | PPARD (0.53) | PPARGPPARDPPARAMLYCDLMNA | |
| SCHEMBL28145223 | 0.78 | SORT1 (0.54) | PPARGPPARDPPARAMLYCDSORT1 | |
| SCHEMBL3419024 | 0.78 | PPARD (0.64) | PPARGPPARDPPARAMLYCDLMNA | |
| SCHEMBL25376630 | 0.77 | LRRK2 (0.46) | CLPPPPARGPPARDPPARAVNN1 | |
| SCHEMBL13460943 | 0.77 | PPARD (0.49) | PPARGPPARDPPARAMLYCDLMNA | |
| SCHEMBL9365904 | 0.75 | MAOA (0.66) | PPARGVNN1ERCC1ERCC4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023160509-A1 | AMIDINE DERIVATIVE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 中国科学院上海药物研究所 | 2023-08-31 | — | — | WO | disclosed |
| CN-116655497-A | Amidine derivative compound and preparation method and application thereof | 中国科学院上海药物研究所 | 2023-08-29 | — | — | CN | disclosed |