Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.32 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL8891206 | 0.83 | POLB (0.38) | SLC9A1ALDH1A1KDM4E | |
| SCHEMBL8893238 | 0.80 | NPSR1 (0.45) | PTGS2ALDH1A1KDM4EMAPTLMNA | |
| SCHEMBL8891477 | 0.79 | SLC9A1 (0.31) | SLC9A1 | |
| SCHEMBL287238 | 0.77 | ALDH1A1 (0.33) | HCAR2ALDH1A1MAPTPIN1LMNA | |
| SCHEMBL8890670 | 0.76 | ALDH1A1 (0.52) | PTGS2ALDH1A1KDM4EMAPTPIN1 | |
| Hydrochloric Acid SCHEMBL19119222 | 0.75 | PDE4B (0.33) | HCAR2ALDH1A1MAPTPIN1LMNA | |
| SCHEMBL9297041 | 0.71 | HSD17B10 (0.38) | ALDH1A1KDM4EMAPTPIN1LMNA | |
| SCHEMBL3260652 | 0.71 | HCAR2 (0.41) | HCAR2ALDH1A1KDM4EMAPTPIN1 | |
| SCHEMBL8516132 | 0.69 | IKBKB (0.40) | ALDH1A1KDM4E | |
| SCHEMBL20718289 | 0.69 | ALDH1A1 (0.31) | HCAR2ALDH1A1MAPTPIN1LMNA |
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-1997024340-A1 | OXAZOLE DERIVATIVES, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-07-10 | — | — | WO | disclosed |