Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | 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 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CALM1 | P0DP23 | 2/20 | 0.33 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8732123 | 0.94 | ALDH1A1 (0.39) | ALDH1A1TRPA1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL8725590 | 0.94 | ALDH1A1 (0.39) | ALDH1A1TRPA1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL91631 | 0.94 | ALDH1A1 (0.50) | ALDH1A1TRPA1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL21527137 | 0.92 | CALM1 (0.42) | ALDH1A1TRPA1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL5888430 | 0.88 | ALDH1A1 (0.44) | ALDH1A1TRPA1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL8728237 | 0.88 | ALDH1A1 (0.44) | ALDH1A1TRPA1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL1647493 | 0.82 | ALDH1A1 (0.65) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL50012 | 0.82 | ALDH1A1 (0.65) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL103324 | 0.82 | ALDH1A1 (0.46) | ALDH1A1TRPA1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL14340716 | 0.80 | ALDH1A1 (0.57) | ALDH1A1TSHRTP53CYP3A4ALOX15 |
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 |