Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.41 |
| ▸ | ANPEP | P15144 | 1/20 | 0.41 |
| ▸ | ACE | P12821 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL616751 | 0.75 | TRPA1 (0.50) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL131351 | 0.75 | SLC6A2 (0.54) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL10940258 | 0.74 | EPHX1 (0.44) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL7512121 | 0.74 | CYP1A2 (0.45) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL12435541 | 0.74 | MAOB (0.47) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL2477321 | 0.71 | SLC6A2 (0.48) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL1493103 | 0.70 | SIGMAR1 (0.58) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL3009586 | 0.70 | SIGMAR1 (0.58) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL8711135 | 0.69 | EPHX1 (0.55) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL4650877 | 0.69 | EPHX1 (0.55) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 |
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-111440108-A | Synthetic method of N-substituted-3-benzylmercapto-4-morpholinyl maleimide compound | 温州医科大学 | 2020-07-24 | — | — | CN | disclosed |
| 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 | disclosed |