Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.34 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.34 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | ELANE | P08246 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | PTGER2 | P43116 | 4/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.31 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.31 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9744772 | 0.78 | TACR3 (0.37) | ZDHHC7SMPD1CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL7303252 | 0.78 | ALDH2 (0.37) | ZDHHC7PRSS1PRSS2PRSS3LMNA | |
| SCHEMBL8985117 | 0.77 | LCK (0.38) | — | |
| SCHEMBL7301168 | 0.76 | CA2 (0.40) | CA2LMNACYP2C19CYP3A4CYP2C9 | |
| SCHEMBL7303995 | 0.76 | CA2 (0.40) | CA2LMNACYP2C19CYP3A4CYP2C9 | |
| SCHEMBL9839276 | 0.76 | CA2 (0.42) | ZDHHC7ABCB1CA1CA2SMPD1 | |
| SCHEMBL9325034 | 0.75 | GLS2 (0.35) | SMPD1ALDH1A1FAAH | |
| SCHEMBL7295059 | 0.75 | GLS2 (0.35) | SMPD1ALDH1A1FAAH | |
| SCHEMBL9670950 | 0.75 | GLS2 (0.35) | SMPD1ALDH1A1FAAH | |
| SCHEMBL9671037 | 0.75 | GLS2 (0.35) | SMPD1ALDH1A1FAAH |
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 |