Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.46 |
| ▸ | CDK2 | P24941 | 2/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | SCD | O00767 | 2/20 | 0.34 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.33 |
| ▸ | CDK7 | P50613 | 1/20 | 0.33 |
| ▸ | CDK9 | P50750 | 1/20 | 0.33 |
| ▸ | CCNH | P51946 | 1/20 | 0.33 |
| ▸ | POLA1 | P09884 | 1/20 | 0.32 |
| ▸ | MTOR | P42345 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2388908 | 0.92 | PAK1 (0.46) | ALDH1A1KDM4EPAK1CDK2RXFP1 | |
| SCHEMBL2002538 | 0.91 | PAK1 (0.48) | ALDH1A1KDM4EPAK1CDK2RXFP1 | |
| SCHEMBL18167360 | 0.84 | ALDH1A1 (0.41) | ALDH1A1KDM4EPAK1 | |
| SCHEMBL1378385 | 0.82 | ALDH1A1 (0.47) | ALDH1A1KDM4EPAK1CDK2RXFP1 | |
| SCHEMBL31380702 | 0.79 | ALDH1A1 (0.45) | ALDH1A1KDM4EPAK1CDK2RXFP1 | |
| SCHEMBL1375993 | 0.77 | PAK1 (0.51) | ALDH1A1KDM4EPAK1CDK2RXFP1 | |
| SCHEMBL2951841 | 0.77 | PAK1 (0.55) | ALDH1A1KDM4EPAK1CDK2RXFP1 | |
| Hydrochloric Acid SCHEMBL6821631 | 0.75 | PAK1 (0.54) | ALDH1A1KDM4EPAK1CDK2RXFP1 | |
| SCHEMBL10869151 | 0.75 | PAK1 (0.57) | ALDH1A1KDM4EPAK1CDK2RXFP1 | |
| SCHEMBL4373728 | 0.72 | ALDH1A1 (0.44) | ALDH1A1KDM4EPAK1CDK2RXFP1 |
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-0433898-A2 | Analogs of oxetanyl purines and pyrimidines | ABBOTT LABORATORIES (US) | 1991-06-26 | — | — | EP | disclosed |