Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22641547 | 0.88 | ALDH1A1 (0.37) | ALDH1A1TSHRTHRB | |
| SCHEMBL9184898 | 0.87 | TRPV1 (0.38) | ALDH1A1TSHRTRPV1TRPA1GABRR1 | |
| SCHEMBL21727837 | 0.87 | TRPV1 (0.38) | ALDH1A1TSHRTRPV1TRPA1GABRR1 | |
| Hydrochloric Acid SCHEMBL9184947 | 0.83 | TRPV1 (0.36) | ALDH1A1TSHRTRPV1TRPA1GABRR1 | |
| SCHEMBL1491969 | 0.83 | THRB (0.50) | ALDH1A1TSHRTHRB | |
| SCHEMBL13669944 | 0.83 | THRB (0.50) | ALDH1A1TSHRTHRB | |
| SCHEMBL26509369 | 0.83 | THRB (0.50) | ALDH1A1TSHRTHRB | |
| SCHEMBL22321696 | 0.81 | — | — | |
| SCHEMBL11640496 | 0.81 | — | — | |
| SCHEMBL9009380 | 0.81 | — | — |
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-2008033431-A1 | SPIROCYCLIC AZETIDINONE DERIVATIVES FOR THE TREATMENT OF DISORDERS OF LIPID METABOLISM, PAIN, DIABETES AND OTHER DISORDERS | SCHERING CORPORATION (US) | 2008-03-20 | — | — | WO | disclosed |