Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29598733 | 0.90 | SMN1; SMN2 (0.38) | SMN1; SMN2CYP1A2CYP2C19GAANPC1 | |
| SCHEMBL29708341 | 0.90 | L3MBTL1 (0.45) | SMN1; SMN2CYP1A2CYP2C19GAANPC1 | |
| SCHEMBL30888336 | 0.89 | SMN1; SMN2 (0.38) | SMN1; SMN2CYP1A2CYP2C19GAANPC1 | |
| SCHEMBL30888305 | 0.84 | SMN1; SMN2 (0.36) | SMN1; SMN2CYP1A2CYP2C19GAANPC1 | |
| SCHEMBL29235539 | 0.81 | SMN1; SMN2 (0.39) | SMN1; SMN2CYP1A2CYP2C19GAANPC1 | |
| SCHEMBL29708869 | 0.74 | USP30 (0.32) | MAOAACHE | |
| SCHEMBL29598509 | 0.71 | CYP1A2 (0.44) | SMN1; SMN2CYP1A2CYP2C19GAANPC1 | |
| SCHEMBL29598527 | 0.70 | CYP1A2 (0.39) | SMN1; SMN2CYP1A2CYP2C19GAANPC1 | |
| SCHEMBL29597649 | 0.70 | GAA (0.44) | SMN1; SMN2CYP1A2CYP2C19GAANPC1 | |
| SCHEMBL29597771 | 0.69 | CYP1A2 (0.42) | SMN1; SMN2CYP1A2CYP2C19GAANPC1 |
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-114450283-A | 3, 6-diamino-pyridazin-3-yl derivatives, pharmaceutical compositions containing them and their use as pro-apoptotic agents | 法国施维雅药厂 | 2022-05-06 | — | — | CN | disclosed |