Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | SNCA | P37840 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.30 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7898616 | 0.77 | CYP3A4 (0.50) | CYP3A4SNCAALDH1A1TSHRHSD17B10 | |
| Diphenylether SCHEMBL23636264 | 0.70 | CYP3A4 (0.43) | CYP3A4ALDH1A1TSHRHSD17B10RAB9A | |
| SCHEMBL8193249 | 0.68 | MAOA (0.33) | — | |
| SCHEMBL14621761 | 0.65 | MAOA (0.52) | CYP3A4ALDH1A1TSHRMAPTPOLB | |
| SCHEMBL175786 | 0.65 | SNCA (0.67) | CYP3A4SNCAALDH1A1TSHRHSD17B10 | |
| SCHEMBL9678332 | 0.62 | MAOA (0.35) | HSD17B10MAPT | |
| SCHEMBL17386391 | 0.60 | SNCA (0.61) | CYP3A4SNCAALDH1A1TSHRHSD17B10 | |
| SCHEMBL461801 | 0.60 | SNCA (0.61) | CYP3A4SNCAALDH1A1TSHRHSD17B10 | |
| SCHEMBL14551185 | 0.59 | ALDH1A1 (0.42) | SNCAALDH1A1TSHRPOLB | |
| SCHEMBL4828670 | 0.59 | MAOA (0.41) | CYP3A4ALDH1A1TSHRHSD17B10MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017162825-A1 | GLYCOSYLATED MONO(2-HYDROXYETHYL) TEREPHTHALIC ACID AND GLYCOSYLATED BIS(2-HYDROXYETHYL) TEREPHTHALIC ACID | JULIUS-MAXIMILIANS-UNIVERSITÄT WÜRZBURG (DE) | 2017-09-28 | — | — | WO | disclosed |