Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 2/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.45 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.45 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.43 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | CDK9 | P50750 | 1/20 | 0.43 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.43 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 4/20 | 0.40 |
| ▸ | PRKCB | P05771 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.39 |
| ▸ | KDM6B | O15054 | 1/20 | 0.39 |
| ▸ | KDM5A | P29375 | 1/20 | 0.39 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 3/20 | 0.39 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11922110 | 0.84 | DYRK1A (0.47) | DYRK1AS1PR1S1PR3CCNT1PIM1 | |
| SCHEMBL21140257 | 0.80 | HTR6 (0.41) | S1PR1S1PR3HTR6GSK3BPRKCB | |
| SCHEMBL20674551 | 0.79 | MEN1 (0.40) | S1PR1S1PR3HTR6GSK3BPRKCB | |
| SCHEMBL3228253 | 0.79 | HTR6 (0.42) | S1PR1S1PR3HTR6GSK3BPRKCB | |
| SCHEMBL30503547 | 0.77 | DYRK1A (0.49) | DYRK1ACCNT1PIM1CCNA2CDK2 | |
| SCHEMBL823082 | 0.74 | DYRK1A (0.50) | DYRK1ACCNT1PIM1CCNA2CDK2 | |
| SCHEMBL25252461 | 0.74 | ABL1 (0.40) | S1PR1S1PR3KDM4EMET | |
| SCHEMBL21979497 | 0.73 | HTT (0.60) | DYRK1AS1PR1S1PR3CCNT1PIM1 | |
| SCHEMBL31404665 | 0.73 | HTT (0.60) | DYRK1AS1PR1S1PR3CCNT1PIM1 | |
| SCHEMBL3228248 | 0.73 | PARP1 (0.48) | HTR6GSK3BPRKCBELANE |
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 |
|---|---|---|---|---|---|---|---|
| EP-3399968-B1 | SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE | CS PHARMATECH LTD (KY) | 2021-10-20 | — | — | EP | disclosed |