Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11367147 | 0.89 | ALDH1A1 (0.58) | ALDH1A1TDP1CA1CYP2C19 | |
| SCHEMBL5793444 | 0.84 | TSHR (0.41) | ALDH1A1TDP1CA1TSHR | |
| SCHEMBL270073 | 0.84 | TSHR (0.41) | ALDH1A1TDP1CA1TSHR | |
| Acetic Acid SCHEMBL9655219 | 0.81 | FFAR3 (0.41) | ALDH1A1TDP1CA1TSHR | |
| Alcohol SCHEMBL8390981 | 0.78 | TSHR (0.38) | ALDH1A1CA1TSHR | |
| SCHEMBL28921674 | 0.74 | ALDH1A1 (0.33) | ALDH1A1TDP1CA1TSHR | |
| SCHEMBL8575010 | 0.74 | TDP1 (0.56) | ALDH1A1TDP1CA1TSHR | |
| SCHEMBL8792288 | 0.73 | — | — | |
| SCHEMBL12388848 | 0.73 | — | — | |
| SCHEMBL888827 | 0.73 | — | — |
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-2008033460-A2 | TREATING PAIN, DIABETES, AND LIPID METABOLISM DISORDERS | SCHERING CORPORATION (US) | 2008-03-20 | — | — | WO | disclosed |