Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 8/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SRC | P12931 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9800645 | 0.87 | MEN1 (0.41) | MAOAMAOBMEN1GAAKMT2A | |
| SCHEMBL23332644 | 0.87 | CYP2D6 (0.44) | MAOAMAOBMEN1GAAKMT2A | |
| SCHEMBL29283758 | 0.85 | CYP1A2 (0.48) | BACE1SRCCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6566148 | 0.85 | CYP1A2 (0.48) | BACE1SRCCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL24259807 | 0.84 | ECE1 (0.44) | MAOAMAOBBACE1MEN1GAA | |
| SCHEMBL19401879 | 0.84 | ECE1 (0.44) | MAOAMAOBBACE1MEN1GAA | |
| SCHEMBL10076065 | 0.82 | CYP2C9 (0.37) | MAOAMAOBBACE1SRCCYP1A2 | |
| SCHEMBL23332621 | 0.81 | SERPINE1 (0.39) | MAOAMAOBMEN1GAAKMT2A | |
| SCHEMBL23332641 | 0.81 | CTSL (0.50) | MEN1GAAKMT2ACTSSCTSK | |
| SCHEMBL5073478 | 0.81 | BACE1 (0.40) | MAOAMAOBBACE1MEN1GAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021085636-A1 | REACTION AGENT FOR AMIDE REACTIONS AND AMIDE COMPOUND PRODUCTION METHOD USING SAME | 学校法人中部大学 | 2021-05-06 | — | — | WO | disclosed |