Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.42 |
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.39 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.38 |
| ▸ | PRKACA | P17612 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | CDK8 | P49336 | 1/20 | 0.38 |
| ▸ | CDK9 | P50750 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28643636 | 0.79 | NPC1 (0.40) | SIGMAR1NOS3NOS1NOS2NPC1 | |
| SCHEMBL28663621 | 0.79 | SIGMAR1 (0.39) | SIGMAR1NOS3NOS1NOS2NPC1 | |
| Bromide SCHEMBL9379879 | 0.73 | NOS3 (0.37) | SIGMAR1NOS3NOS1NOS2NPC1 | |
| SCHEMBL29390302 | 0.70 | SIGMAR1 (0.62) | GAASIGMAR1PDGFRAPRKACAKDR | |
| SCHEMBL503849 | 0.70 | SIGMAR1 (0.62) | GAASIGMAR1PDGFRAPRKACAKDR | |
| SCHEMBL30606845 | 0.68 | SIGMAR1 (0.60) | GAASIGMAR1PDGFRAPRKACAKDR | |
| Ammonia Solution, Strong SCHEMBL8210515 | 0.68 | SIGMAR1 (0.60) | GAASIGMAR1PDGFRAPRKACAKDR | |
| SCHEMBL2230501 | 0.67 | NOS3 (0.57) | SIGMAR1NOS3NOS1NOS2NPC1 | |
| SCHEMBL30681225 | 0.67 | NOS3 (0.57) | SIGMAR1NOS3NOS1NOS2NPC1 | |
| SCHEMBL1698202 | 0.67 | OPRL1 (0.46) | SIGMAR1CYP19A1GRIN2BPDGFRAPRKACA |
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-113636977-B | Synthesis method of 2-aryl benzazepine and derivatives thereof | 温州大学 | 2022-12-20 | — | — | CN | disclosed |
| CN-113636977-A | Synthesis method of 2-aryl benzazepine and derivatives thereof | 温州大学 | 2021-11-12 | — | — | CN | disclosed |