Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | HRH1 | P35367 | 2/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.41 |
| ▸ | MEF2D | Q14814 | 2/20 | 0.41 |
| ▸ | SOD1 | P00441 | 1/20 | 0.40 |
| ▸ | EP300 | Q09472 | 1/20 | 0.40 |
| ▸ | CETP | P11597 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | DUT | P33316 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11941056 | 0.97 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2KDM4EHRH1HDAC4 | |
| SCHEMBL16404861 | 0.95 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2KDM4EHRH1HDAC4 | |
| SCHEMBL18019002 | 0.93 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2KDM4EHRH1SOD1 | |
| SCHEMBL21481540 | 0.87 | HRH1 (0.54) | ALDH1A1SMN1; SMN2KDM4EHRH1SLC6A2 | |
| SCHEMBL14624277 | 0.85 | HRH1 (0.59) | HRH1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL17302577 | 0.85 | ATM (0.43) | ALDH1A1SMN1; SMN2KDM4EHRH1SOD1 | |
| SCHEMBL18617332 | 0.84 | CHRNB2 (0.53) | HRH1SLC6A2 | |
| SCHEMBL12866814 | 0.83 | HRH1 (0.44) | ALDH1A1HRH1HDAC4MEF2DEP300 | |
| SCHEMBL1409246 | 0.83 | CSNK2A1 (0.50) | ALDH1A1HRH1HDAC4MEF2DEP300 | |
| SCHEMBL14956804 | 0.81 | SLC6A4 (0.48) | ALDH1A1SMN1; SMN2KDM4EHRH1SOD1 |
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-2018069863-A1 | 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2018-04-19 | — | — | WO | disclosed |