Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 1/20 | 0.59 |
| ▸ | RXRB | P28702 | 1/20 | 0.59 |
| ▸ | RXRG | P48443 | 1/20 | 0.59 |
| ▸ | PKM | P14618 | 1/20 | 0.56 |
| ▸ | MAOB | P27338 | 5/20 | 0.51 |
| ▸ | MAOA | P21397 | 4/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | NR4A2 | P43354 | 3/20 | 0.49 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.46 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.46 |
| ▸ | WDR5 | P61964 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.44 |
| ▸ | F2 | P00734 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8935328 | 0.89 | PKM (0.61) | RXRARXRBRXRGPKMMAOB | |
| SCHEMBL28497325 | 0.86 | MAOB (0.56) | MAOBNR4A2NR4A1NR4A3NPC1 | |
| SCHEMBL28500721 | 0.85 | MAOB (0.51) | MAOBMAOANR4A2NR4A1NR4A3 | |
| SCHEMBL28510234 | 0.84 | MAOB (0.57) | MAOBMAOANR4A2NPC1RAB9A | |
| SCHEMBL27311683 | 0.84 | PPARG (0.53) | MAOBNR4A2ALOX5 | |
| SCHEMBL28187832 | 0.81 | MAOB (0.50) | MAOBMAOANR4A2 | |
| SCHEMBL27315925 | 0.81 | SPHK2 (0.49) | PKMMAOBNR4A2CYP2D6SMPD1 | |
| SCHEMBL27309675 | 0.80 | PARP10 (0.57) | MAOBMAOANR4A2NR4A1NR4A3 | |
| Hydrochloric Acid SCHEMBL27353104 | 0.79 | PARP10 (0.56) | MAOBMAOANR4A2NR4A1NR4A3 | |
| SCHEMBL11809581 | 0.79 | RXRA (0.72) | RXRARXRBRXRGPKMMAOB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107522654-B | Novel alpha-aminoamide derivatives and medicinal use thereof | 中国人民解放军军事医学科学院毒物药物研究所 | 2020-09-01 | — | — | CN | disclosed |