Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.44 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 4/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3902925 | 0.89 | KDM4E (0.46) | NOD1GDACYP2C9HPGDPDE4A | |
| SCHEMBL23255513 | 0.73 | NOD1 (0.40) | NOD1GDAHPGDDPP4KDM4E | |
| SCHEMBL7443292 | 0.72 | MEN1 (0.43) | PDE4APDE4BPDE4CPDE4DDPP4 | |
| SCHEMBL21389576 | 0.71 | GDA (0.40) | NOD1GDADPP4SMN1; SMN2KDM4E | |
| SCHEMBL6112180 | 0.70 | NOD1 (0.45) | NOD1HPGDKDM4EMAPK1ALDH1A1 | |
| SCHEMBL9387992 | 0.70 | GDA (0.36) | NOD1GDADPP4 | |
| SCHEMBL3223903 | 0.70 | PDE4A (0.55) | CYP2C9HPGDPDE4AADORA2APDE4B | |
| SCHEMBL15689217 | 0.69 | ADORA2B (0.54) | NOD1HPGDADORA2AKDM4EALDH1A1 | |
| SCHEMBL23393089 | 0.69 | SMN1; SMN2 (0.46) | CYP2C9HPGDPDE4AADORA2APDE4B | |
| SCHEMBL11078946 | 0.68 | DPP4 (0.33) | NOD1GDAHPGDDPP4MAPK1 |
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-0413278-A2 | Use of xanthine derivatives against peptic ulcers | HOECHST JAPAN LIMITED (JP) | 1991-02-20 | — | — | EP | disclosed |