Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.36 |
| ▸ | ADK | P55263 | 3/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.34 |
| ▸ | F10 | P00742 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.32 |
| ▸ | PPARG | P37231 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.32 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.32 |
| ▸ | EDNRA | P25101 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | PPARA | Q07869 | 1/20 | 0.30 |
| ▸ | BACE1 | P56817 | 1/20 | 0.30 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19620572 | 0.90 | KDM4E (0.34) | KDM4EPOLBMAPTADK | |
| SCHEMBL19620596 | 0.90 | KDM4E (0.34) | KDM4EPOLBMAPTADKSLC6A2 | |
| SCHEMBL19620522 | 0.87 | KDM4E (0.42) | KDM4EPOLBMAPTKCNA5ADK | |
| SCHEMBL19620570 | 0.86 | MAPT (0.39) | KDM4EPOLBMAPTSLC6A3 | |
| SCHEMBL19620689 | 0.86 | KDM4E (0.38) | KDM4EPOLBMAPTADKCYP1A2 | |
| SCHEMBL19620603 | 0.85 | POLB (0.50) | KDM4EPOLBMAPTADKSLC6A3 | |
| SCHEMBL19620589 | 0.85 | ADK (0.39) | KDM4EPOLBMAPTADKSLC6A2 | |
| SCHEMBL19620593 | 0.84 | KDM4E (0.36) | KDM4EPOLBMAPTADKCYP1A2 | |
| SCHEMBL19620669 | 0.83 | CYP1A2 (0.34) | KDM4EPOLBMAPTNPSR1CYP1A2 | |
| SCHEMBL19620542 | 0.82 | POLB (0.42) | KDM4EPOLBMAPTADKSLC6A3 |
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-2897607-B1 | INHIBITORS OF BETA-HYDROLASE FOR TREATMENT OF CANCER | RHODE ISLAND HOSPITAL (US) | 2017-11-22 | — | — | EP | disclosed |