Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.44 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20323150 | 0.77 | ALDH1A1 (0.44) | PDK2PDK4ALDH1A1POLBGAA | |
| SCHEMBL28562087 | 0.73 | ALDH1A1 (0.43) | PDK2PDK4ALDH1A1POLBGAA | |
| SCHEMBL1520018 | 0.72 | ALDH1A1 (0.61) | PDK2PDK4ALDH1A1POLBGAA | |
| SCHEMBL1520522 | 0.69 | ALDH1A1 (0.49) | PDK2PDK4ALDH1A1POLBGAA | |
| SCHEMBL20323004 | 0.69 | ALDH1A1 (0.45) | PDK2PDK4ALDH1A1POLBGAA | |
| SCHEMBL1520717 | 0.67 | ALDH1A1 (0.43) | PDK2PDK4ALDH1A1POLBGAA | |
| SCHEMBL15703418 | 0.66 | POLB (0.40) | PDK2PDK4ALDH1A1POLBGAA | |
| SCHEMBL28565197 | 0.66 | LMNA (0.46) | PDK2PDK4ALDH1A1POLBGAA | |
| Fluoride SCHEMBL28908418 | 0.66 | MEN1 (0.61) | PDK2PDK4ALDH1A1POLBGAA | |
| SCHEMBL28375510 | 0.66 | MEN1 (0.61) | PDK2PDK4ALDH1A1POLBGAA |
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-2021188855-A1 | SYMBIOTIC PRODRUGS FOR THE TREATMENT OF CANCER AND OTHER DISEASES | BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) | 2021-09-23 | — | — | WO | disclosed |