Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 3/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | TUBB4A | P04350 | 4/20 | 0.36 |
| ▸ | TUBB | P07437 | 4/20 | 0.36 |
| ▸ | TUBA3C | P0DPH7 | 4/20 | 0.36 |
| ▸ | TUBA1B | P68363 | 4/20 | 0.36 |
| ▸ | TUBA4A | P68366 | 4/20 | 0.36 |
| ▸ | TUBB4B | P68371 | 4/20 | 0.36 |
| ▸ | TUBB3 | Q13509 | 4/20 | 0.36 |
| ▸ | TUBB2A | Q13885 | 4/20 | 0.36 |
| ▸ | TUBB8 | Q3ZCM7 | 4/20 | 0.36 |
| ▸ | TUBA3E | Q6PEY2 | 4/20 | 0.36 |
| ▸ | TUBA1A | Q71U36 | 4/20 | 0.36 |
| ▸ | TUBA1C | Q9BQE3 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28829958 | 0.85 | NR3C1 (0.53) | MAOAALDH1A1NR3C1L3MBTL1GAA | |
| SCHEMBL28829975 | 0.81 | KDM1A (0.57) | MAOAALDH1A1KDM1AMAOBTUBB1 | |
| SCHEMBL28829925 | 0.81 | MEN1 (0.44) | MAOAALDH1A1L3MBTL1TUBB1GAA | |
| SCHEMBL28829903 | 0.81 | ALDH1A1 (0.43) | MAOAALDH1A1ALOX15NR3C1L3MBTL1 | |
| SCHEMBL28829954 | 0.79 | HTR2A (0.42) | MAOAALDH1A1KDM1AMAOBLMNA | |
| SCHEMBL13651782 | 0.77 | ALDH1A1 (0.37) | ALDH1A1ALOX15L3MBTL1 | |
| SCHEMBL16553704 | 0.76 | QDPR (0.46) | ALOX15NR3C1DPP4GAASMN1; SMN2 | |
| SCHEMBL23933232 | 0.73 | NR3C1 (0.43) | MAOAALOX15NR3C1KDM1AMAOB | |
| SCHEMBL172801 | 0.73 | PDE4B (0.50) | ALDH1A1ALOX15NR3C1GAASMN1; SMN2 | |
| SCHEMBL12191682 | 0.71 | ALDH1A1 (0.44) | ALDH1A1ALOX15NR3C1TUBB4ATUBB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110003110-B | Aryl beta-aminoketone compound and preparation method thereof | 南京工业大学 | 2022-09-06 | — | — | CN | claimed |
| CN-116905020-A | Method for synthesizing 1, 3-fluoroamine product by electrochemical mode | 南京工业大学 | 2023-10-20 | — | — | CN | disclosed |
| CN-110003110-B | Aryl beta-aminoketone compound and preparation method thereof | 南京工业大学 | 2022-09-06 | — | — | CN | disclosed |