Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.47 |
| ▸ | DNM2 | P50570 | 4/20 | 0.44 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.43 |
| ▸ | CDC7 | O00311 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.43 |
| ▸ | PRKACA | P17612 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2638413 | 1.00 | TLR8 (0.56) | TLR8SMN1; SMN2CYP2D6CYP1A2CYP3A4 | |
| SCHEMBL3662937 | 0.95 | DNM2 (0.50) | TLR8SMN1; SMN2CYP2D6CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL8521658 | 0.93 | SMN1; SMN2 (0.52) | TLR8SMN1; SMN2CYP2D6CYP1A2CYP3A4 | |
| SCHEMBL30195099 | 0.89 | SMN1; SMN2 (0.54) | TLR8SMN1; SMN2CYP2D6CYP1A2CYP3A4 | |
| SCHEMBL5554310 | 0.89 | SMN1; SMN2 (0.54) | TLR8SMN1; SMN2CYP2D6CYP1A2CYP3A4 | |
| SCHEMBL15923123 | 0.85 | SMN1; SMN2 (0.46) | TLR8SMN1; SMN2CYP2D6CYP1A2CYP3A4 | |
| SCHEMBL30775333 | 0.81 | NUDT1 (0.56) | SMN1; SMN2CYP2D6CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL18906038 | 0.81 | NUDT1 (0.56) | SMN1; SMN2CYP2D6CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL30775279 | 0.81 | CYP2C19 (0.50) | SMN1; SMN2CYP2D6CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL16160635 | 0.81 | CYP1A2 (0.55) | TLR8SMN1; SMN2CYP2D6CYP1A2CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118974051-A | Pyrimidopyridazinones as Toll-like receptor agonists | 上海维申医药有限公司 | 2024-11-15 | — | — | CN | disclosed |
| CN-116789671-A | Pyrimidopyridazinones as Toll-like receptor agonists | 上海维申医药有限公司 | 2023-09-22 | — | — | CN | disclosed |