Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 17/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.36 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | SLC2A9 | Q9NRM0 | 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 | |
|---|---|---|---|---|
| SCHEMBL25955021 | 0.86 | SLC22A12 (0.71) | SLC22A12CYP2C9CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL25955312 | 0.83 | SLC22A12 (0.57) | SLC22A12CYP2C9CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL25955019 | 0.80 | SLC22A12 (0.61) | SLC22A12CYP2C9CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL25955022 | 0.79 | SLC22A12 (0.70) | SLC22A12CYP2C9CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL25955023 | 0.79 | SLC22A12 (0.71) | SLC22A12CYP2C9CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL25955025 | 0.78 | SLC22A12 (0.65) | SLC22A12CYP2C9CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL19851107 | 0.77 | SLC22A12 (0.79) | SLC22A12CYP2C9CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL30062993 | 0.76 | SLC22A12 (0.60) | SLC22A12CYP2C9CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL21049180 | 0.76 | SLC22A12 (0.60) | SLC22A12CYP2C9CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL19851124 | 0.76 | SLC22A12 (0.81) | SLC22A12CYP2C9CYP3A4CYP2C19CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023143034-A1 | PYRIDOIMIDAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 山东大学 | 2023-08-03 | — | — | WO | disclosed |