Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.33 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | XDH | P47989 | 2/20 | 0.33 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.32 |
| ▸ | CDK1 | P06493 | 2/20 | 0.32 |
| ▸ | CDK4 | P11802 | 2/20 | 0.32 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.32 |
| ▸ | CCND1 | P24385 | 2/20 | 0.32 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9766918 | 1.00 | ALDH1A1 (0.33) | ALDH1A1GABBR2GABBR1TRPA1LMNA | |
| SCHEMBL7295816 | 0.86 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL9326868 | 0.74 | TTR (0.43) | ALDH1A1ALOX5KDM4EMAPT | |
| SCHEMBL10431549 | 0.70 | APP (0.53) | TRPA1 | |
| SCHEMBL9837929 | 0.67 | — | — | |
| SCHEMBL8985154 | 0.66 | — | — | |
| SCHEMBL7293134 | 0.66 | PIK3CD (0.32) | — | |
| SCHEMBL9484129 | 0.65 | — | — | |
| SCHEMBL25819110 | 0.63 | ALDH1A1 (0.36) | ALDH1A1GABBR2GABBR1TRPA1LMNA | |
| SCHEMBL9837939 | 0.62 | ATM (0.37) | ALDH1A1KDM4EMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-5013850-A | 4-ethyl and 4-ethenyl-5-hydroxy-2(5H)-furanones substituted on alpha carbon of the ethyl or ethenyl side chain with a long chain alkyl group and on the beta carbon with a polar group, as anti-inflammatory agents | ALLERGAN, INC. (US) | 1991-05-07 | — | — | US | disclosed |