Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.42 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 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 | |
|---|---|---|---|---|
| SCHEMBL14287895 | 0.82 | NQO1 (0.45) | NQO1NISCHSMN1; SMN2GSTP1ESR1 | |
| SCHEMBL23443665 | 0.80 | MAPT (0.49) | NOS3NOS1NOS2LMNAALDH1A1 | |
| SCHEMBL28657245 | 0.78 | RXFP1 (0.42) | NOS3NOS1NOS2SMN1; SMN2LMNA | |
| SCHEMBL28660674 | 0.78 | MAPT (0.43) | NOS3NOS1NOS2SMN1; SMN2LMNA | |
| SCHEMBL28648708 | 0.74 | ASIC3 (0.40) | ALDH1A1HPGDKDM4E | |
| SCHEMBL20819791 | 0.71 | CHRNB4 (0.53) | NISCHSMN1; SMN2GSTP1ESR1ESR2 | |
| SCHEMBL29746229 | 0.69 | NOS3 (0.53) | NOS3NOS1NOS2SMN1; SMN2LMNA | |
| SCHEMBL5400224 | 0.68 | GSTP1 (0.48) | SLC6A2SLC6A3NISCHSMN1; SMN2GSTP1 | |
| SCHEMBL22634176 | 0.68 | SLC6A2 (0.58) | SLC6A2SLC6A3NISCHSMN1; SMN2GSTP1 | |
| SCHEMBL26747098 | 0.68 | NQO1 (0.39) | NQO1NISCHSMN1; SMN2GSTP1ESR1 |
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 |