Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 5/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PAK4 | O96013 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19945779 | 0.90 | MEN1 (0.36) | ABCB1RAB9ASMN1; SMN2NPC1MAPT | |
| SCHEMBL21318963 | 0.89 | TSHR (0.31) | — | |
| SCHEMBL21318984 | 0.89 | KMT2A (0.34) | ABCB1ADORA3RAB9ANPC1CYP1A2 | |
| SCHEMBL21318940 | 0.88 | ADORA3 (0.42) | CTSBADORA3ADORA1KMT2A | |
| SCHEMBL23772953 | 0.87 | SMN1; SMN2 (0.37) | CTSBADORA3ADORA1RAB9ASMN1; SMN2 | |
| SCHEMBL21318979 | 0.85 | ADORA3 (0.34) | CTSBADORA3ADORA1SMN1; SMN2CYP1A2 | |
| SCHEMBL21318986 | 0.85 | ADORA3 (0.31) | ADORA3ADORA1ALDH1A1KMT2AGAA | |
| SCHEMBL21318976 | 0.85 | ADORA3 (0.37) | CTSBADORA3ADORA1SMN1; SMN2MAPT | |
| SCHEMBL21319005 | 0.85 | TLR7 (0.31) | RAB9ASMN1; SMN2NPC1CYP1A2CYP2D6 | |
| SCHEMBL21318948 | 0.84 | SRC (0.39) | CTSBADORA3ADORA1SMN1; SMN2ALDH1A1 |
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 3 patents. 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 |
| EP-3504210-B1 | 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION | HOFFMANN LA ROCHE (CH) | 2021-02-24 | — | — | EP | disclosed |
| WO-2018041763-A1 | 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION | F. HOFFMANN-LA ROCHE AG (CH) | 2018-03-08 | — | — | WO | disclosed |