Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | ESR1 | P03372 | 2/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.31 |
| ▸ | TACR2 | P21452 | 2/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | SHBG | P04278 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.31 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 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 | |
|---|---|---|---|---|
| Water SCHEMBL8997397 | 0.96 | PTGS2 (0.33) | NPC1RAB9APTGS2CYP3A4ESR1 | |
| SCHEMBL29521082 | 0.94 | — | — | |
| SCHEMBL27684687 | 0.82 | NPC1 (0.31) | NPC1RAB9ALMNA | |
| SCHEMBL14100435 | 0.79 | SIGMAR1 (0.39) | ADORA3SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL30886701 | 0.71 | CYP1A2 (0.35) | ACHECYP1A2KMT2A | |
| SCHEMBL31607267 | 0.69 | CYP1A2 (0.38) | ACHECYP1A2 | |
| SCHEMBL31607268 | 0.69 | CYP1A2 (0.38) | ACHECYP1A2 | |
| SCHEMBL31607433 | 0.69 | CYP1A2 (0.38) | ACHECYP1A2 | |
| SCHEMBL1754426 | 0.67 | — | — | |
| SCHEMBL27826327 | 0.67 | PTGS2 (0.39) | PTGS2CYP3A4ESR1ADRA2AADORA3 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1250330-B1 | PROCESS FOR THE PREPARATION OF 3-FUROATE ESTERS AND NOVEL INTERMEDIATE COMPOUNDS | EASTMAN CHEM CO (US) | 2004-01-07 | — | — | EP | disclosed |
| EP-1250330-B1 | PROCESS FOR THE PREPARATION OF 3-FUROATE ESTERS AND NOVEL INTERMEDIATE COMPOUNDS | EASTMAN CHEM CO (US) | 2004-01-07 | — | — | EP | disclosed |
| EP-1250330-A1 | PROCESS FOR THE PREPARATION OF 3-FUROATE ESTERS AND NOVEL INTERMEDIATE COMPOUNDS | EASTMAN CHEMICAL COMPANY (US) | 2002-10-23 | — | — | EP | disclosed |
| EP-1250330-A1 | PROCESS FOR THE PREPARATION OF 3-FUROATE ESTERS AND NOVEL INTERMEDIATE COMPOUNDS | EASTMAN CHEMICAL COMPANY (US) | 2002-10-23 | — | — | EP | disclosed |
| WO-2001055127-A1 | PROCESS FOR THE PREPARATION OF 3-FUROATE ESTERS AND NOVEL INTERMEDIATE COMPOUNDS | EASTMAN CHEMICAL COMPANY (US) | 2001-08-02 | — | — | WO | disclosed |
| WO-2001055127-A1 | PROCESS FOR THE PREPARATION OF 3-FUROATE ESTERS AND NOVEL INTERMEDIATE COMPOUNDS | EASTMAN CHEMICAL COMPANY (US) | 2001-08-02 | — | — | WO | disclosed |
| US-6184394-B1 | ALKYL 3-FUROATES FROM 4-ACYL-2,3-DIHYDROFURANS FROM 4-ACYL-2,3-DIHYDRO-FURANS BY HALOGENATING IN THE PRESENCE OF AN ALKANOL FOLLOWED BY CONTACTING WITH A STRONG BASE; DRUGS; ANTINFLAMMATORY AND -FOULING AGENTS | EASTMAN CHEMICAL COMPANY | 2001-02-06 | — | — | US | disclosed |
| US-6184394-B1 | ALKYL 3-FUROATES FROM 4-ACYL-2,3-DIHYDROFURANS FROM 4-ACYL-2,3-DIHYDRO-FURANS BY HALOGENATING IN THE PRESENCE OF AN ALKANOL FOLLOWED BY CONTACTING WITH A STRONG BASE; DRUGS; ANTINFLAMMATORY AND -FOULING AGENTS | EASTMAN CHEMICAL COMPANY | 2001-02-06 | — | — | US | disclosed |