Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 8/20 | 0.51 |
| ▸ | MAOA | P21397 | 15/20 | 0.48 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.45 |
| ▸ | CDK1 | P06493 | 2/20 | 0.45 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.45 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.45 |
| ▸ | CDK2 | P24941 | 2/20 | 0.45 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.45 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.45 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.45 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.45 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28500675 | 0.89 | DYRK1A (0.64) | DYRK1AMAOACCNB2CDK1CCNB1 | |
| SCHEMBL28503355 | 0.86 | DYRK1A (0.54) | DYRK1AMAOACCNB2CDK1CCNB1 | |
| Butyramide SCHEMBL28501063 | 0.80 | DYRK1A (0.57) | DYRK1AMAOACCNB2CDK1CCNB1 | |
| SCHEMBL30939928 | 0.78 | CCNB2 (0.68) | DYRK1AMAOACCNB2CDK1CCNB1 | |
| SCHEMBL177685 | 0.78 | CCNB2 (0.68) | DYRK1AMAOACCNB2CDK1CCNB1 | |
| Propionamide SCHEMBL28500673 | 0.78 | DYRK1A (0.60) | DYRK1AMAOACCNB2CDK1CCNB1 | |
| SCHEMBL14253027 | 0.77 | DYRK1A (0.65) | DYRK1AMAOACCNB2CDK1CCNB1 | |
| SCHEMBL20726348 | 0.77 | DYRK1A (0.65) | DYRK1AMAOACCNB2CDK1CCNB1 | |
| Acetamide SCHEMBL28491482 | 0.76 | DYRK1A (0.64) | DYRK1AMAOACCNB2CDK1CCNB1 | |
| Hydrochloric Acid SCHEMBL970432 | 0.76 | CCNB2 (0.64) | DYRK1AMAOACCNB2CDK1CCNB1 |
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-112135613-A | Kinase inhibitor compounds and compositions and methods of use | 西奈山伊坎医学院 | 2020-12-25 | — | — | CN | disclosed |