Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.34 |
| ▸ | ABL1 | P00519 | 3/20 | 0.34 |
| ▸ | SRC | P12931 | 3/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | CCR7 | P32248 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | PPARG | P37231 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21318976 | 0.88 | ADORA3 (0.37) | ADORA3ABL1SRCADORA1CTSB | |
| SCHEMBL21318948 | 0.87 | SRC (0.39) | ADORA3ABL1SRCADORA1CTSB | |
| SCHEMBL19945665 | 0.85 | ABCB1 (0.38) | ADORA3ADORA1CTSBALDH1A1SMN1; SMN2 | |
| SCHEMBL23772953 | 0.83 | SMN1; SMN2 (0.37) | ADORA3ABL1SRCADORA1CTSB | |
| SCHEMBL21319010 | 0.82 | PPARG (0.38) | ADORA3ADORA1ALDH1A1MAPK1LMNA | |
| SCHEMBL21318947 | 0.78 | USP28 (0.39) | ADORA3ADORA1ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL19945779 | 0.76 | MEN1 (0.36) | ALDH1A1NPSR1LMNASMN1; SMN2MAPT | |
| SCHEMBL21318963 | 0.76 | TSHR (0.31) | MAPK1 | |
| SCHEMBL21318984 | 0.76 | KMT2A (0.34) | ADORA3ALDH1A1NPSR1ALOX15MAPK1 | |
| SCHEMBL21318940 | 0.74 | ADORA3 (0.42) | ADORA3ADORA1CTSBCXCR2LMNA |
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-3294740-B1 | NOVEL SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION | HOFFMANN LA ROCHE (CH) | 2019-09-04 | — | — | EP | disclosed |