Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 4/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL44259 | 0.82 | IDO1 (0.44) | TP53CYP1A2CYP3A4CYP2D6PRMT1 | |
| SCHEMBL28840325 | 0.80 | KCNH2 (0.39) | TP53 | |
| SCHEMBL9217746 | 0.78 | MAOB (0.44) | CYP1A2CYP3A4CYP2D6PRMT1IDO1 | |
| SCHEMBL23088675 | 0.73 | EGFR (0.39) | TP53CYP1A2CYP3A4CYP2D6PRMT1 | |
| SCHEMBL28902312 | 0.73 | CYP2D6 (0.44) | TP53CYP1A2CYP3A4CYP2D6PRMT1 | |
| SCHEMBL10978005 | 0.73 | CYP1A2 (0.42) | TP53CYP1A2CYP3A4CYP2D6PRMT1 | |
| SCHEMBL28359780 | 0.72 | PAM (0.55) | CYP1A2CYP3A4IDO1NOS3NOS1 | |
| SCHEMBL23138287 | 0.72 | IDO1 (0.38) | CYP1A2CYP3A4CYP2D6PRMT1IDO1 | |
| SCHEMBL2074627 | 0.72 | IDO1 (0.44) | TP53CYP1A2CYP3A4CYP2D6PRMT1 | |
| SCHEMBL979135 | 0.71 | CYP1A2 (0.42) | CYP1A2CYP3A4CYP2D6PRMT1IDO1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111548299-A | Preparation method of N-methyl-3-benzylmercapto-4-amino maleimide compound | 温州医科大学 | 2020-08-18 | — | — | CN | claimed |
| CN-111393350-A | Synthesis method of N-methyl-3-substituted benzylmercapto-4-morpholinyl maleimide compound | 温州医科大学 | 2020-07-10 | — | — | CN | claimed |
| CN-111440108-A | Synthetic method of N-substituted-3-benzylmercapto-4-morpholinyl maleimide compound | 温州医科大学 | 2020-07-24 | — | — | CN | disclosed |