Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.33 |
| ▸ | HMGCR | P04035 | 1/20 | 0.33 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | NAAA | Q02083 | 2/20 | 0.30 |
| ▸ | PDCD4 | Q53EL6 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9840024 | 0.77 | ALDH1A1 (0.36) | ALOX5PTGS2HMGCRALDH1A1NAAA | |
| SCHEMBL8985173 | 0.76 | CA1 (0.42) | CYP3A4CYP2C9CYP2C19ZDHHC7NAAA | |
| SCHEMBL7298216 | 0.75 | ACHE (0.39) | CYP2C9CYP2C19ALOX5PTGS2HMGCR | |
| SCHEMBL9838197 | 0.73 | F13A1 (0.46) | PTGS2ALDH1A1 | |
| SCHEMBL9746758 | 0.72 | PDCD4 (0.34) | CYP3A4CYP2C9CYP2C19NAAAPDCD4 | |
| SCHEMBL9837957 | 0.71 | NAAA (0.31) | ALOX5PTGS2HMGCRNAAA | |
| SCHEMBL5694365 | 0.71 | ZDHHC7 (0.52) | ZDHHC7ALDH1A1 | |
| SCHEMBL10577697 | 0.69 | ALOX5 (0.39) | CYP3A4ALOX5PTGS2HMGCRALDH1A1 | |
| SCHEMBL11648130 | 0.69 | ZDHHC7 (0.48) | ZDHHC7ALDH1A1 | |
| SCHEMBL9767234 | 0.69 | ALOX5 (0.34) | ALOX5PTGS2HMGCR |
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 |