Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL246160 | 0.80 | ALDH1A1 (0.52) | TRPA1ALDH1A1TSHRLMNATDP1 | |
| SCHEMBL135878 | 0.78 | — | — | |
| SCHEMBL12345302 | 0.78 | — | — | |
| SCHEMBL21332953 | 0.77 | ALDH1A1 (0.50) | TRPA1ALDH1A1TSHRLMNATDP1 | |
| SCHEMBL236592 | 0.77 | ALDH1A1 (0.50) | TRPA1ALDH1A1TSHRLMNATDP1 | |
| SCHEMBL4610776 | 0.77 | TRPA1 (0.44) | TRPA1ALDH1A1TSHRLMNATDP1 | |
| SCHEMBL1049623 | 0.76 | TRPA1 (0.47) | TRPA1ALDH1A1TSHRLMNATDP1 | |
| SCHEMBL10927040 | 0.76 | TRPA1 (0.47) | TRPA1ALDH1A1TSHRLMNATDP1 | |
| SCHEMBL13391793 | 0.76 | TRPA1 (0.47) | TRPA1ALDH1A1TSHRLMNATDP1 | |
| SCHEMBL4609548 | 0.76 | TRPA1 (0.47) | TRPA1ALDH1A1TSHRLMNATDP1 |
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-2012087519-A1 | COMPOSITIONS AND METHODS FOR MODULATING FXR | IRM LLC (BM) | 2012-06-28 | — | — | WO | disclosed |