Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 6/20 | 0.38 |
| ▸ | CA2 | P00918 | 6/20 | 0.38 |
| ▸ | CA4 | P22748 | 6/20 | 0.38 |
| ▸ | CA7 | P43166 | 6/20 | 0.38 |
| ▸ | CA9 | Q16790 | 6/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.34 |
| ▸ | BACE1 | P56817 | 4/20 | 0.33 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL21401396 | 0.90 | ALDH1A1 (0.39) | ALDH1A1GAACA1CA2CA4 | |
| SCHEMBL1496567 | 0.85 | HPGD (0.41) | ALDH1A1GAACA1CA2CA4 | |
| SCHEMBL21401367 | 0.84 | ALDH1A1 (0.36) | ALDH1A1GAACA1CA2CA4 | |
| SCHEMBL10187450 | 0.82 | BACE1 (0.47) | ALDH1A1GAACA1CA2CA4 | |
| SCHEMBL1496583 | 0.82 | TEAD1 (0.42) | ALDH1A1GAAMAPT | |
| SCHEMBL27611935 | 0.81 | MAOA (0.56) | ALDH1A1CA1CA2CA4CA7 | |
| SCHEMBL1496511 | 0.80 | CA1 (0.50) | ALDH1A1CA1CA2CA4CA7 | |
| SCHEMBL1496667 | 0.80 | MAOA (0.53) | ALDH1A1CA1CA2CA4CA7 | |
| SCHEMBL1496561 | 0.80 | MAOA (0.48) | ALDH1A1CA1CA2CA4CA7 | |
| SCHEMBL1496761 | 0.78 | CA1 (0.51) | ALDH1A1CA1CA2CA4CA7 |
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-3486272-A1 | AROMATIC POLYTHIOL COMPOUND FOR OPTICAL MATERIAL | SKC Co., Ltd. (KR) | 2019-05-22 | — | — | EP | disclosed |