Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.42 |
| ▸ | LMNA | P02545 | 5/20 | 0.42 |
| ▸ | GAA | P10253 | 5/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | NOX1 | Q9Y5S8 | 2/20 | 0.40 |
| ▸ | NOX3 | Q9HBY0 | 1/20 | 0.40 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.38 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | CTH | P32929 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | GFER | P55789 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22925149 | 0.75 | L3MBTL1 (0.62) | ALDH1A1LMNAGAAKDM4EMAPT | |
| SCHEMBL12943594 | 0.73 | GAA (0.55) | ALDH1A1LMNAGAAKDM4EMAPT | |
| SCHEMBL16609588 | 0.72 | KDM4E (0.68) | ALDH1A1LMNAGAAKDM4ENOX1 | |
| SCHEMBL16210646 | 0.70 | NPSR1 (0.33) | ALDH1A1LMNAGAAKDM4ENOX1 | |
| SCHEMBL2415034 | 0.70 | NPSR1 (0.33) | ALDH1A1LMNAGAAKDM4ENOX1 | |
| SCHEMBL22925147 | 0.68 | LMNA (0.42) | ALDH1A1LMNAGAAKDM4EMAPT | |
| SCHEMBL13963843 | 0.68 | PTGS2 (0.32) | ALDH1A1 | |
| SCHEMBL19851158 | 0.67 | NOX1 (0.58) | ALDH1A1LMNAGAAKDM4ENOX1 | |
| SCHEMBL647049 | 0.67 | NOX1 (0.58) | ALDH1A1LMNAGAAKDM4ENOX1 | |
| SCHEMBL647048 | 0.67 | NOX1 (0.58) | ALDH1A1LMNAGAAKDM4ENOX1 |
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-105164134-B | It is used as the imidazo-triazine derivative of PDE10 inhibitor | 辉瑞大药厂 | 2017-09-22 | — | — | CN | disclosed |