Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 5/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | STAT3 | P40763 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | GLS | O94925 | 2/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | OGA | O60502 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2929995 | 0.92 | ADORA2A (0.37) | ALDH1A1LMNAMAPTADORA3ADORA2A | |
| SCHEMBL2931791 | 0.90 | RPS6KB1 (0.37) | ADORA2AADORA1 | |
| SCHEMBL2930816 | 0.86 | STAT3 (0.40) | STAT3MAPK14 | |
| SCHEMBL1760986 | 0.86 | MEN1 (0.50) | ALDH1A1HTTSMN1; SMN2LMNAGAA | |
| SCHEMBL2929411 | 0.82 | ADORA2A (0.41) | ALDH1A1HTTSMN1; SMN2GAAKDM4E | |
| SCHEMBL2931358 | 0.81 | NPSR1 (0.40) | ALDH1A1LMNAGAAMAPTADORA3 | |
| SCHEMBL3053848 | 0.80 | OGA (0.40) | ALDH1A1HTTSMN1; SMN2KDM4EMAPT | |
| SCHEMBL1760975 | 0.78 | CCR3 (0.41) | HTTSMN1; SMN2MEN1KMT2AMAPT | |
| SCHEMBL3051009 | 0.78 | OGA (0.36) | ALDH1A1HTTSMN1; SMN2MAPTADORA3 | |
| SCHEMBL2925732 | 0.77 | EIF4E (0.37) | ALDH1A1SMN1; SMN2KDM4EMAPTADORA3 |
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-2027132-B1 | THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2010-09-15 | — | — | EP | claimed |