Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIT | P10721 | 5/20 | 0.32 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.32 |
| ▸ | HTR3B | O95264 | 1/20 | 0.32 |
| ▸ | HTR3A | P46098 | 1/20 | 0.32 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.32 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.32 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.31 |
| ▸ | AKT1 | P31749 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | HTR6 | P50406 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21722220 | 0.88 | RPS6KB1 (0.34) | KITHTR3ARPS6KB1AKT1CYP3A4 | |
| SCHEMBL21733503 | 0.87 | KRAS (0.34) | KITHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL30834561 | 0.81 | RPS6KB1 (0.33) | KITRPS6KB1AKT1CYP3A4CYP2C19 | |
| SCHEMBL21733584 | 0.81 | QPCT (0.34) | HSD17B10KDM4EALDH1A1POLBHPGD | |
| Ammonia Solution, Strong SCHEMBL28501326 | 0.81 | SMO (0.32) | KITHTR3ARPS6KB1AKT1 | |
| SCHEMBL21722224 | 0.79 | KRAS (0.35) | KITRPS6KB1AKT1CYP3A4CYP2C19 | |
| Ammonia Solution, Strong SCHEMBL28497081 | 0.77 | RPS6KB1 (0.35) | KITRPS6KB1AKT1CYP3A4CYP2C19 | |
| SCHEMBL30177935 | 0.76 | HTR3A (0.33) | KITHTR3ARPS6KB1AKT1CYP3A4 | |
| SCHEMBL21733682 | 0.76 | HTR3A (0.33) | KITHTR3ARPS6KB1AKT1CYP3A4 | |
| SCHEMBL21733723 | 0.75 | KRAS (0.39) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112119075-A | Fused ring compound | 豪夫迈·罗氏有限公司 | 2020-12-22 | — | — | CN | disclosed |
| EP-3746436-A1 | FUSED RING COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2020-12-09 | — | — | EP | disclosed |
| WO-2020035031-A1 | FUSED RING COMPOUNDS | GENENTECH, INC. (US) | 2020-02-20 | — | — | WO | disclosed |
| WO-2020035031-A1 | FUSED RING COMPOUNDS | GENENTECH, INC. (US) | 2020-02-20 | — | — | WO | disclosed |