Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | ATIC | P31939 | 1/20 | 0.32 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17425088 | 0.65 | ALDH1A1 (0.30) | ALDH1A1POLBRXFP1ATIC | |
| SCHEMBL8011952 | 0.60 | GDA (0.38) | ALDH1A1POLBRXFP1ATICGDA | |
| SCHEMBL16189922 | 0.60 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL16189881 | 0.60 | ALDH1A1 (0.39) | ALDH1A1 | |
| SCHEMBL2873901 | 0.57 | TSHR (0.36) | ALDH1A1POLBRXFP1ATICGDA | |
| SCHEMBL9076339 | 0.57 | TSHR (0.34) | ALDH1A1POLBRXFP1ATICGDA | |
| SCHEMBL7011289 | 0.57 | ATIC (0.36) | ALDH1A1POLBRXFP1ATICGDA | |
| SCHEMBL10612254 | 0.57 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL158472 | 0.57 | ALDH1A1 (0.32) | ALDH1A1POLBRXFP1ATIC | |
| SCHEMBL5165263 | 0.57 | ALDH1A1 (0.44) | ALDH1A1POLBRXFP1ATICGDA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0733633-A1 | Heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-09-25 | — | — | EP | claimed |
| EP-0733633-A1 | Heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-09-25 | — | — | EP | disclosed |