Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 3/20 | 0.43 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.42 |
| ▸ | P2RY12 | Q9H244 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 5/20 | 0.35 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.34 |
| ▸ | CDK4 | P11802 | 1/20 | 0.34 |
| ▸ | CCND1 | P24385 | 1/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.34 |
| ▸ | PDE2A | O00408 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL9430030 | 1.00 | XDH (0.43) | XDHPDE3BPDE3AP2RY12MAPT | |
| SCHEMBL9430422 | 1.00 | XDH (0.43) | XDHPDE3BPDE3AP2RY12MAPT | |
| SCHEMBL9430825 | 1.00 | XDH (0.43) | XDHPDE3BPDE3AP2RY12MAPT | |
| SCHEMBL7530553 | 0.87 | MAPT (0.46) | XDHPDE3BPDE3AP2RY12MAPT | |
| SCHEMBL3118423 | 0.83 | XDH (0.54) | XDHMAPTADORA2BGPR84 | |
| SCHEMBL9721482 | 0.82 | CYP2C19 (0.41) | XDHPDE3BPDE3AP2RY12MAPT | |
| SCHEMBL9431012 | 0.81 | XDH (0.39) | XDHPDE3BPDE3AP2RY12MAPT | |
| Propanol SCHEMBL9430865 | 0.81 | XDH (0.41) | XDHMAPTADORA2BGPR84 | |
| SCHEMBL6233162 | 0.81 | XDH (0.51) | XDHMAPTADORA2BGPR84ALDH1A1 | |
| SCHEMBL31438586 | 0.80 | MAPT (0.48) | XDHMAPTADORA2BACHEGDA |
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-0269841-B1 | 1-HYDROXYALKYL XANTHINES, PROCESSES FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM | SOCIETE DES PRODUITS NESTLE S.A. (CH) | 1992-11-11 | — | — | EP | claimed |