Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SNCA | P37840 | 1/20 | 0.37 |
| ▸ | RHOA | P61586 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | CA1 | P00915 | 3/20 | 0.34 |
| ▸ | CA2 | P00918 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL3259058 | 0.81 | CYP3A4 (0.50) | CYP3A4ALDH1A1HSD17B10TSHRSNCA | |
| SCHEMBL461106 | 0.75 | CYP3A4 (0.52) | CYP3A4ALDH1A1HSD17B10TSHRSNCA | |
| SCHEMBL460399 | 0.71 | CYP3A4 (0.47) | CYP3A4ALDH1A1HSD17B10TSHRSNCA | |
| SCHEMBL20183947 | 0.70 | CYP3A4 (0.53) | CYP3A4ALDH1A1HSD17B10TSHRSNCA | |
| SCHEMBL8602285 | 0.70 | CYP3A4 (0.46) | CYP3A4ALDH1A1HSD17B10TSHRSNCA | |
| Acrylic Acid SCHEMBL459310 | 0.70 | CYP3A4 (0.46) | CYP3A4ALDH1A1HSD17B10TSHRSNCA | |
| Methacrylic Acid SCHEMBL459214 | 0.70 | CYP3A4 (0.42) | CYP3A4ALDH1A1HSD17B10TSHRSNCA | |
| SCHEMBL2050494 | 0.69 | CYP3A4 (0.41) | CYP3A4ALDH1A1HSD17B10TSHRSNCA | |
| SCHEMBL8977231 | 0.69 | CYP3A4 (0.41) | CYP3A4ALDH1A1HSD17B10TSHRSNCA | |
| SCHEMBL5184261 | 0.69 | CYP3A4 (0.45) | CYP3A4ALDH1A1HSD17B10TSHRSNCA |
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 4 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-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 |
| 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 |