Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | AXL | P30530 | 1/20 | 0.36 |
| ▸ | FLT3 | P36888 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28927215 | 0.80 | TAAR1 (0.56) | CYP1A2CYP2C9CYP2C19NPC1MAPT | |
| SCHEMBL29256447 | 0.80 | MAPK1 (0.50) | CYP1A2CYP2C9CYP2C19CYP2D6NPC1 | |
| SCHEMBL28927234 | 0.80 | MAPK1 (0.50) | CYP1A2CYP2C9CYP2C19CYP2D6NPC1 | |
| SCHEMBL28927232 | 0.80 | MAPK1 (0.50) | CYP1A2CYP2C9CYP2C19CYP2D6NPC1 | |
| SCHEMBL28695547 | 0.80 | TAAR1 (0.56) | CYP1A2CYP2C9CYP2C19NPC1MAPT | |
| SCHEMBL30636781 | 0.78 | MAPT (0.58) | CYP1A2CYP2C9CYP2C19NPC1MAPT | |
| SCHEMBL28927198 | 0.78 | MAPT (0.58) | CYP1A2CYP2C9CYP2C19NPC1MAPT | |
| SCHEMBL15842376 | 0.78 | MAPT (0.58) | CYP1A2CYP2C9CYP2C19NPC1MAPT | |
| SCHEMBL20181058 | 0.78 | NOS2 (0.40) | CYP1A2CYP2C9CYP2C19CYP2D6MEN1 | |
| SCHEMBL23912877 | 0.76 | NPC1 (0.41) | CYP1A2CYP2C9CYP2C19CYP2D6MEN1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116444400-A | Chiral alpha- (trichloromethyl) amine compound and preparation method thereof | 合肥工业大学 | 2023-07-18 | — | — | CN | claimed |
| CN-118307432-A | Synthesis method of alpha-substituted amide compound | 南京工业大学 | 2024-07-09 | — | — | CN | disclosed |
| CN-118307432-A | Synthesis method of alpha-substituted amide compound | 南京工业大学 | 2024-07-09 | — | — | CN | disclosed |
| CN-118307431-A | Method for synthesizing beta-alkylamide from N-phenyl-3-butenamide | 南京工业大学 | 2024-07-09 | — | — | CN | disclosed |
| CN-118307433-A | Synthesis method of beta alkylamide | 南京工业大学 | 2024-07-09 | — | — | CN | disclosed |
| CN-118307433-A | Synthesis method of beta alkylamide | 南京工业大学 | 2024-07-09 | — | — | CN | disclosed |