Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.36 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 2/20 | 0.33 |
| ▸ | SRC | P12931 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL21319065 | 0.90 | MEN1 (0.36) | SMN1; SMN2ADORA3TLR7ALDH1A1KMT2A | |
| SCHEMBL21319054 | 0.90 | ADORA3 (0.43) | CTSBADORA3ADORA1TLR7ABL1 | |
| SCHEMBL21318942 | 0.89 | KMT2A (0.34) | SMN1; SMN2RAB9AADORA3TLR7ALDH1A1 | |
| SCHEMBL19945665 | 0.87 | ABCB1 (0.38) | SMN1; SMN2RAB9ACTSBADORA3ADORA1 | |
| SCHEMBL21318981 | 0.87 | TOP2A (0.33) | ADORA3MAPT | |
| SCHEMBL21318973 | 0.86 | — | — | |
| SCHEMBL21318976 | 0.85 | ADORA3 (0.37) | SMN1; SMN2CTSBADORA3ADORA1TLR7 | |
| SCHEMBL21318948 | 0.84 | SRC (0.39) | SMN1; SMN2CTSBADORA3ADORA1TLR7 | |
| SCHEMBL21318979 | 0.83 | ADORA3 (0.34) | SMN1; SMN2CTSBADORA3ADORA1ABL1 | |
| SCHEMBL21318940 | 0.80 | ADORA3 (0.42) | CTSBADORA3ADORA1TLR7KMT2A |
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-3865482-A1 | 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION | F. Hoffmann-La Roche AG (CH) | 2021-08-18 | — | — | EP | disclosed |