Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 7/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.45 |
| ▸ | JAK2 | O60674 | 1/20 | 0.44 |
| ▸ | JAK1 | P23458 | 1/20 | 0.44 |
| ▸ | JAK3 | P52333 | 1/20 | 0.44 |
| ▸ | NOS3 | P29474 | 6/20 | 0.43 |
| ▸ | NOS1 | P29475 | 6/20 | 0.43 |
| ▸ | NOS2 | P35228 | 6/20 | 0.43 |
| ▸ | KDM1A | O60341 | 3/20 | 0.40 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.37 |
| ▸ | NMT1 | P30419 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL23302664 | 0.98 | SLC6A2 (0.49) | SLC6A2SLC6A4SLC6A3JAK2JAK1 | |
| SCHEMBL21887535 | 0.90 | NOS3 (0.45) | SLC6A2SLC6A4SLC6A3JAK2JAK1 | |
| SCHEMBL148917 | 0.84 | MAOA (0.46) | SLC6A2SLC6A4JAK2JAK1JAK3 | |
| SCHEMBL4577662 | 0.80 | SLC6A4 (0.46) | SLC6A2SLC6A4SLC6A3NMT1 | |
| SCHEMBL2092295 | 0.79 | NOS2 (0.44) | SLC6A2SLC6A4SLC6A3NOS3NOS1 | |
| SCHEMBL26011715 | 0.79 | NMT1 (0.35) | SLC6A2SLC6A4SLC6A3NOS3NOS1 | |
| SCHEMBL16422572 | 0.79 | SLC6A4 (0.48) | SLC6A2SLC6A4SLC6A3JAK2JAK1 | |
| SCHEMBL2477882 | 0.79 | USP7 (0.36) | SLC6A2SLC6A4SLC6A3NOS3NOS1 | |
| SCHEMBL1866454 | 0.79 | ALDH1A1 (0.43) | SLC6A2SLC6A4SLC6A3NOS3NOS1 | |
| SCHEMBL4010135 | 0.78 | SLC18A3 (0.45) | SLC6A2SLC6A4SLC6A3NOS2 |
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-114929673-A | Isoquinolinone derivatives, preparation method thereof, and pharmaceutical composition for preventing or treating poly (ADP-ribose) polymerase 1(PARP-1) -related diseases comprising the same as active ingredient | 多临生物株式会社 | 2022-08-19 | — | — | CN | disclosed |