Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 1/20 | 0.37 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL9687872 | 0.83 | AOC3 (0.41) | AOC3HDAC4HDAC7HDAC5IDO1 | |
| SCHEMBL9687568 | 0.82 | PNMT (0.39) | AOC3KCNQ2ALDH1A1SLC6A2SLC6A4 | |
| SCHEMBL9687697 | 0.80 | AOC3 (0.39) | AOC3HDAC4HDAC7HDAC5IDO1 | |
| SCHEMBL9686794 | 0.77 | CYP3A4 (0.42) | ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL5999554 | 0.76 | AOC3 (0.41) | AOC3HDAC4HDAC7HDAC5IDO1 | |
| SCHEMBL12671605 | 0.73 | HDAC4 (0.53) | AOC3HDAC4HDAC7HDAC5IDO1 | |
| SCHEMBL778198 | 0.73 | HDAC4 (0.53) | AOC3HDAC4HDAC7HDAC5IDO1 | |
| SCHEMBL14512274 | 0.73 | HDAC4 (0.53) | AOC3HDAC4HDAC7HDAC5IDO1 | |
| SCHEMBL20992899 | 0.73 | HDAC4 (0.53) | AOC3HDAC4HDAC7HDAC5IDO1 | |
| SCHEMBL22048343 | 0.71 | IDO1 (0.47) | AOC3HDAC4HDAC7HDAC5IDO1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5136114-A | PROCESS FOR THE PREPARATION OF GEMINAL DIARYLALKANES, NEW GEMINAL DIARYLALKANES AND ALK(EN)YLATED AROMATIC COMPOUNDS | BAYER AKTIENGESELLSCHAFT (DE) | 1992-08-04 | — | — | US | disclosed |