Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 2/20 | 0.44 |
| ▸ | NOS3 | P29474 | 1/20 | 0.44 |
| ▸ | NOS2 | P35228 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6687839 | 0.85 | NOS1 (0.41) | NOS1NOS3NOS2 | |
| SCHEMBL26113626 | 0.80 | NOS1 (0.43) | NOS1NOS3NOS2CTSK | |
| SCHEMBL594264 | 0.80 | NOS1 (0.40) | NOS1NOS3NOS2MAOAMAOB | |
| SCHEMBL1841165 | 0.80 | NOS1 (0.40) | NOS1NOS3NOS2MAOAMAOB | |
| SCHEMBL28062530 | 0.79 | NOS1 (0.46) | NOS1NOS3NOS2CTSKCA12 | |
| Hydrochloric Acid SCHEMBL4095856 | 0.78 | NOS1 (0.39) | NOS1NOS3NOS2MAOAMAOB | |
| Hydrochloric Acid SCHEMBL1807882 | 0.78 | NOS1 (0.39) | NOS1NOS3NOS2MAOAMAOB | |
| Hydrochloric Acid SCHEMBL8848963 | 0.77 | NOS1 (0.45) | NOS1NOS3NOS2CA12CA14 | |
| SCHEMBL27557192 | 0.77 | CTSS (0.40) | NOS1NOS3NOS2CTSK | |
| SCHEMBL7380045 | 0.76 | NOS1 (0.36) | NOS1NOS3NOS2MAOAMAOB |
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 |
|---|---|---|---|---|---|---|---|
| CN-117069664-A | Method for preparing 4- (2-aminoethyl) piperazine-2, 6-dione derivative | 康化（上海）新药研发有限公司 | 2023-11-17 | — | — | CN | disclosed |