Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK5 | Q00535 | 7/20 | 0.56 |
| ▸ | CDK5R1 | Q15078 | 7/20 | 0.56 |
| ▸ | CLK1 | P49759 | 6/20 | 0.56 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.40 |
| ▸ | FGFR2 | P21802 | 2/20 | 0.40 |
| ▸ | FGFR3 | P22607 | 2/20 | 0.40 |
| ▸ | GSK3B | P49841 | 3/20 | 0.37 |
| ▸ | HTR1A | P08908 | 2/20 | 0.37 |
| ▸ | HTR2B | P41595 | 2/20 | 0.37 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.37 |
| ▸ | CDK1 | P06493 | 2/20 | 0.37 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.37 |
| ▸ | PRKACA | P17612 | 2/20 | 0.37 |
| ▸ | PRKACG | P22612 | 2/20 | 0.37 |
| ▸ | PRKACB | P22694 | 2/20 | 0.37 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.37 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.37 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.37 |
| ▸ | CCNA2 | P20248 | 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 | |
|---|---|---|---|---|
| SCHEMBL28613532 | 0.82 | GPR84 (0.44) | CDK5CDK5R1CLK1GSK3BHTR1A | |
| SCHEMBL1352370 | 0.75 | IMPDH2 (0.51) | CDK5CDK5R1CLK1GSK3BHTR2B | |
| SCHEMBL4739891 | 0.72 | BRD4 (0.45) | ADRA1DADRA1ABRD4HPGDS | |
| SCHEMBL22053014 | 0.70 | BRD4 (0.38) | ADRA1DADRA1ABRD4CYP1B1HPGDS | |
| SCHEMBL13544531 | 0.69 | CLK1 (0.50) | CDK5CDK5R1CLK1CYP2A6FGFR1 | |
| SCHEMBL7573578 | 0.68 | ADRA1A (0.36) | ADRA1DADRA1ABRD4CYP1B1HPGDS | |
| SCHEMBL29197589 | 0.68 | IMPDH2 (0.50) | CDK5CDK5R1CLK1GSK3BHTR2B | |
| SCHEMBL28973447 | 0.67 | CYP2A6 (0.60) | CDK5CDK5R1CLK1CYP2A6FGFR1 | |
| SCHEMBL26259967 | 0.66 | BRD4 (0.53) | ADRA1DADRA1ABRD4CYP1B1HPGDS | |
| SCHEMBL1919495 | 0.65 | HPGDS (0.52) | ADRA1DADRA1ABRD4HPGDS |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113185503-B | Natural product Pimpirinine derivative and preparation method and application thereof | 南京农业大学 | 2023-02-28 | — | — | CN | disclosed |
| CN-113185503-A | Natural product Pimpirinine derivative and preparation method and application thereof | 南京农业大学 | 2021-07-30 | — | — | CN | disclosed |