Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.61 |
| ▸ | NOS2 | P35228 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | S1PR2 | O95136 | 3/20 | 0.35 |
| ▸ | NUDT1 | P36639 | 4/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PGK1 | P00558 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13116022 | 1.00 | NOS3 (0.61) | NOS3NOS2SMN1; SMN2NPC1RAB9A | |
| SCHEMBL18689678 | 0.80 | ALDH1A1 (0.43) | NOS3NOS2SMN1; SMN2S1PR2ALDH1A1 | |
| SCHEMBL21922822 | 0.79 | NOS3 (0.41) | NOS3NOS2SMN1; SMN2NPC1RAB9A | |
| SCHEMBL3711167 | 0.77 | MEN1 (0.47) | NOS3NOS2SMN1; SMN2NPC1RAB9A | |
| SCHEMBL29849205 | 0.77 | MEN1 (0.47) | NOS3NOS2SMN1; SMN2NPC1RAB9A | |
| SCHEMBL165100 | 0.77 | — | — | |
| SCHEMBL16454931 | 0.77 | PGK1 (0.38) | NOS3NOS2S1PR2PGK1CYP2C19 | |
| SCHEMBL19225767 | 0.77 | TRPM8 (0.42) | NOS3NOS2S1PR2ALDH1A1POLB | |
| SCHEMBL943294 | 0.76 | NOS3 (1.00) | NOS3NOS2SMN1; SMN2NPC1RAB9A | |
| SCHEMBL2771693 | 0.75 | NOS3 (0.35) | NOS3NOS2SMN1; SMN2S1PR2ALDH1A1 |
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-117157286-A | Pyridyl-substituted oxo-isoindoline compounds | 百时美施贵宝公司 | 2023-12-01 | — | — | CN | disclosed |