Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 6/20 | 0.35 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.35 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.34 |
| ▸ | FEN1 | P39748 | 1/20 | 0.34 |
| ▸ | NSD2 | O96028 | 1/20 | 0.34 |
| ▸ | NSD3 | Q9BZ95 | 1/20 | 0.34 |
| ▸ | NQO1 | P15559 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.32 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL506801 | 0.86 | TRPA1 (0.41) | TRPA1ARSLC40A1CHEK1DGAT1 | |
| SCHEMBL29620884 | 0.85 | TRPA1 (0.55) | TRPA1ARSLC40A1DGAT1ALOX5AP | |
| SCHEMBL11894343 | 0.85 | AR (0.39) | TRPA1ARSLC40A1CHEK1ALOX5AP | |
| SCHEMBL10329121 | 0.85 | TRPA1 (0.55) | TRPA1ARSLC40A1DGAT1ALOX5AP | |
| SCHEMBL10329120 | 0.82 | TRPA1 (0.43) | TRPA1ARSLC40A1CHEK1DGAT1 | |
| SCHEMBL19767081 | 0.79 | AR (0.39) | TRPA1ARSLC40A1CHEK1DGAT1 | |
| SCHEMBL17162369 | 0.78 | AR (0.41) | TRPA1ARSLC40A1CHEK1DGAT1 | |
| SCHEMBL21174927 | 0.77 | TRPA1 (0.40) | TRPA1SLC40A1CHEK1DGAT1ALOX5AP | |
| SCHEMBL29601639 | 0.75 | TRPA1 (0.40) | TRPA1ARCHEK1DGAT1NSD2 | |
| SCHEMBL17395028 | 0.75 | TRPA1 (0.40) | TRPA1ARCHEK1DGAT1NSD2 |
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-3704112-A1 | ALKENE SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS | Bristol-Myers Squibb Company (US) | 2020-09-09 | — | — | EP | disclosed |