Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.46 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.41 |
| ▸ | CDK2 | P24941 | 3/20 | 0.41 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.41 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.41 |
| ▸ | CDK1 | P06493 | 1/20 | 0.41 |
| ▸ | CDK4 | P11802 | 1/20 | 0.41 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.41 |
| ▸ | CCND1 | P24385 | 1/20 | 0.41 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GLS | O94925 | 2/20 | 0.38 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.37 |
| ▸ | KDM4A | O75164 | 1/20 | 0.37 |
| ▸ | GFER | P55789 | 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 | |
|---|---|---|---|---|
| SCHEMBL17168919 | 0.87 | PDPK1 (0.47) | PDPK1CCNE1CDK2CCNE2CCNB2 | |
| SCHEMBL19274562 | 0.87 | PDPK1 (0.43) | PDPK1CCNE1CDK2CCNE2CCNB2 | |
| SCHEMBL19274584 | 0.85 | PDPK1 (0.46) | PDPK1CCNE1CDK2CCNE2CCNB2 | |
| SCHEMBL19274577 | 0.83 | PDPK1 (0.44) | PDPK1CCNE1CDK2CCNE2CCNB2 | |
| SCHEMBL19274606 | 0.83 | PDPK1 (0.42) | PDPK1CCNE1CDK2CCNE2CCNB2 | |
| SCHEMBL19274841 | 0.81 | PDPK1 (0.43) | PDPK1CCNE1CDK2CCNE2CCNB2 | |
| SCHEMBL19274418 | 0.81 | PDPK1 (0.47) | PDPK1L3MBTL1KDM4ELMNAGLS | |
| SCHEMBL3870395 | 0.81 | FPR3 (0.48) | PDPK1L3MBTL1KDM4ELMNAGLS | |
| SCHEMBL19274470 | 0.80 | PDPK1 (0.44) | PDPK1CCNE1CDK2CCNE2CCNB2 | |
| SCHEMBL19990403 | 0.80 | PDPK1 (0.47) | PDPK1L3MBTL1KDM4ELMNAGLS |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017141049-A1 | METHYLAMINE DERIVATIVES AS LYSYSL OXIDASE INHIBITORS FOR THE TREATMENT OF CANCER | THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) | 2017-08-24 | — | — | WO | disclosed |