Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | PIM1 | P11309 | 2/20 | 0.42 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.42 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.42 |
| ▸ | FEN1 | P39748 | 1/20 | 0.39 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.34 |
| ▸ | CDK4 | P11802 | 2/20 | 0.34 |
| ▸ | CCND1 | P24385 | 2/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.34 |
| ▸ | CDK2 | P24941 | 2/20 | 0.34 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.34 |
| ▸ | PRKACA | P17612 | 1/20 | 0.34 |
| ▸ | PRKACG | P22612 | 1/20 | 0.34 |
| ▸ | PRKACB | P22694 | 1/20 | 0.34 |
| ▸ | CAMK2B | Q13554 | 1/20 | 0.34 |
| ▸ | CAMK2G | Q13555 | 1/20 | 0.34 |
| ▸ | CAMK2D | Q13557 | 1/20 | 0.34 |
| ▸ | CCNB3 | Q8WWL7 | 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 | |
|---|---|---|---|---|
| SCHEMBL7490077 | 0.79 | CYP2A6 (0.47) | CYP2A6PIM1PIM3PIM2FEN1 | |
| SCHEMBL29955582 | 0.76 | CYP2A6 (0.47) | CYP2A6PIM1PIM3PIM2FEN1 | |
| SCHEMBL2206205 | 0.71 | KDM4E (0.43) | CYP2A6PIM1PIM3PIM2FEN1 | |
| SCHEMBL2561380 | 0.70 | HTT (0.48) | MEN1MAPTAHRKMT2A | |
| SCHEMBL29954657 | 0.69 | LMNA (0.44) | CYP2A6PIM1PIM3PRKACACAMK2A | |
| SCHEMBL29951207 | 0.69 | GSK3B (0.48) | CYP2A6PIM1PIM3PIM2CDK2 | |
| Hydrochloric Acid SCHEMBL29425645 | 0.67 | GPR17 (0.44) | CYP2A6PIM1PIM3PIM2FEN1 | |
| SCHEMBL30439700 | 0.67 | FEN1 (0.52) | CYP2A6PIM1PIM3PIM2FEN1 | |
| SCHEMBL6008314 | 0.67 | FEN1 (0.52) | CYP2A6PIM1PIM3PIM2FEN1 | |
| SCHEMBL9274959 | 0.66 | ERN1 (0.43) | CYP2A6PIM1PIM3PIM2MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |