Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | ERN1 | O75460 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | AGXT | P21549 | 2/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5888430 | 1.00 | ALDH1A1 (0.44) | ALDH1A1ERN1PTGS2TP53MEN1 | |
| SCHEMBL8732123 | 0.94 | ALDH1A1 (0.39) | ALDH1A1ERN1PTGS2TP53MEN1 | |
| SCHEMBL91631 | 0.94 | ALDH1A1 (0.50) | ALDH1A1ERN1PTGS2TP53MEN1 | |
| SCHEMBL8730727 | 0.88 | ALDH1A1 (0.44) | ALDH1A1ERN1PTGS2TP53TRPA1 | |
| SCHEMBL21527137 | 0.85 | CALM1 (0.42) | ALDH1A1PTGS2TP53MEN1KMT2A | |
| SCHEMBL8725590 | 0.83 | ALDH1A1 (0.39) | ALDH1A1PTGS2TP53MEN1KMT2A | |
| SCHEMBL198803 | 0.82 | ERN1 (0.47) | ERN1PTGS2IDO1AGXTCHEK1 | |
| SCHEMBL8726810 | 0.81 | ALDH1A1 (0.41) | ALDH1A1TP53MEN1MAPTKMT2A | |
| SCHEMBL8728209 | 0.80 | ALDH1A1 (0.57) | ALDH1A1ERN1PTGS2TP53MEN1 | |
| SCHEMBL8362192 | 0.80 | ERN1 (0.53) | ALDH1A1ERN1PTGS2MAPTTSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0882695-A1 | BENZYL ETHER DERIVATIVES, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY | CHISSO CORPORATION (JP) | 1998-12-09 | — | — | EP | disclosed |