Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | TNF | P01375 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.47 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | TRPC4 | Q9UBN4 | 1/20 | 0.44 |
| ▸ | TRPC5 | Q9UL62 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 5/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4636217 | 0.94 | ADORA3 (0.47) | ALDH1A1SMN1; SMN2HTTMAOBMAOA | |
| SCHEMBL4636790 | 0.91 | MAOB (0.47) | ALDH1A1KDM4EGLAMAOBCYP1A2 | |
| SCHEMBL2539847 | 0.86 | MAOB (0.46) | GLAMAOB | |
| SCHEMBL4637292 | 0.85 | ADORA2B (0.53) | ALDH1A1LMNASMN1; SMN2KDM4EMAPT | |
| SCHEMBL4637363 | 0.85 | MAOB (0.60) | ALDH1A1SMN1; SMN2KDM4EGLAHTT | |
| SCHEMBL4636795 | 0.84 | ADORA1 (0.47) | MAOB | |
| SCHEMBL4636762 | 0.82 | MAOB (0.41) | ALDH1A1LMNASMN1; SMN2KDM4EGLA | |
| SCHEMBL2542620 | 0.79 | MAOB (0.42) | MAOB | |
| SCHEMBL4636001 | 0.79 | MAOA (0.43) | ALDH1A1LMNATSHRSMN1; SMN2MAPK1 | |
| SCHEMBL4637264 | 0.76 | MAOB (0.47) | ALDH1A1SMN1; SMN2MAPTMAOBMAOA |
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-1939197-A1 | 8-ethinylxanthine derivatives as selective A2A receptor antagonists | SCHWARZ PHARMA AG (DE) | 2008-07-02 | — | — | EP | disclosed |