Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | FLT3 | P36888 | 4/20 | 0.38 |
| ▸ | NT5E | P21589 | 1/20 | 0.37 |
| ▸ | CDK1 | P06493 | 2/20 | 0.35 |
| ▸ | EZH2 | Q15910 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | PDE5A | O76074 | 1/20 | 0.34 |
| ▸ | PDE1A | P54750 | 1/20 | 0.34 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.34 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30148787 | 0.84 | YTHDC1 (0.59) | NPC1RAB9ASMN1; SMN2YTHDC1CYP1A2 | |
| SCHEMBL30148782 | 0.76 | YTHDC1 (0.58) | NPC1RAB9ASMN1; SMN2YTHDC1CYP1A2 | |
| SCHEMBL30410713 | 0.76 | NPC1 (0.56) | NPC1RAB9ASMN1; SMN2YTHDC1CYP1A2 | |
| SCHEMBL30410614 | 0.75 | NPC1 (0.55) | NPC1RAB9ASMN1; SMN2YTHDC1CYP1A2 | |
| SCHEMBL30409876 | 0.75 | NPC1 (0.57) | NPC1RAB9ASMN1; SMN2YTHDC1CYP1A2 | |
| SCHEMBL30410815 | 0.74 | NPC1 (0.56) | NPC1RAB9ASMN1; SMN2YTHDC1CYP1A2 | |
| SCHEMBL30148789 | 0.74 | MAPT (0.37) | SMN1; SMN2EZH2ADORA1RXFP1 | |
| SCHEMBL30409431 | 0.73 | NPC1 (0.52) | NPC1RAB9ASMN1; SMN2YTHDC1CYP1A2 | |
| SCHEMBL30410409 | 0.73 | NPC1 (0.52) | NPC1RAB9ASMN1; SMN2YTHDC1CYP1A2 | |
| SCHEMBL30409513 | 0.72 | NPC1 (0.53) | NPC1RAB9ASMN1; SMN2YTHDC1CYP1A2 |
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-110903289-B | Purine-aminomethyl-pyridone derivative, preparation method and application thereof | 四川大学 | 2023-02-03 | — | — | CN | disclosed |