Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNP | P00491 | 1/20 | 0.34 |
| ▸ | KDM4A | O75164 | 1/20 | 0.31 |
| ▸ | KDM4B | O94953 | 1/20 | 0.31 |
| ▸ | KDM5C | P41229 | 1/20 | 0.31 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.31 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.31 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | PDPK1 | O15530 | 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 | |
|---|---|---|---|---|
| Purine SCHEMBL28177311 | 0.72 | ALDH1A1 (0.45) | ALDH1A1PDPK1 | |
| SCHEMBL15900194 | 0.71 | PNP (0.41) | PNPALDH1A1 | |
| Purine SCHEMBL6421380 | 0.70 | ALDH1A1 (0.47) | ALDH1A1PDPK1 | |
| Purine SCHEMBL29703771 | 0.70 | ALDH1A1 (0.47) | ALDH1A1PDPK1 | |
| Purine SCHEMBL3158 | 0.70 | — | — | |
| Purine SCHEMBL29365913 | 0.70 | — | — | |
| Purine SCHEMBL30862524 | 0.70 | — | — | |
| Purine SCHEMBL2120554 | 0.70 | ALDH1A1 (0.47) | ALDH1A1PDPK1 | |
| Purine SCHEMBL27691424 | 0.69 | ALDH1A1 (0.42) | ALDH1A1PDPK1 | |
| SCHEMBL17497045 | 0.69 | PNP (0.37) | PNPALDH1A1 |
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 |