Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 2/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | PNP | P00491 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL3417708 | 0.68 | PDPK1 (0.52) | PDPK1PARP1ALDH1A1 | |
| SCHEMBL3433750 | 0.62 | NPSR1 (0.53) | ALDH1A1 | |
| SCHEMBL726936 | 0.61 | CNOT7 (0.41) | PDPK1PARP1ALDH1A1 | |
| SCHEMBL12005970 | 0.61 | LMNA (0.41) | PDPK1PNPALDH1A1 | |
| SCHEMBL7014722 | 0.60 | PNP (0.34) | PDPK1PNPALDH1A1 | |
| SCHEMBL1276252 | 0.60 | PDPK1 (0.32) | PDPK1PARP1ALDH1A1 | |
| SCHEMBL3863547 | 0.60 | CYP1A2 (0.45) | PDPK1PARP1ALDH1A1 | |
| SCHEMBL6363594 | 0.59 | KDM4C (0.53) | PDPK1PARP1ALDH1A1 | |
| SCHEMBL3402056 | 0.59 | KDM4C (0.49) | PARP1 | |
| SCHEMBL15900194 | 0.59 | PNP (0.41) | PARP1PNPALDH1A1 |
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 3 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-B1 | Heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-05-28 | — | — | EP | disclosed |
| EP-0733633-A1 | Heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-09-25 | — | — | EP | disclosed |