Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 16/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | XIAP | P98170 | 1/20 | 0.35 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.34 |
| ▸ | PRNP | P04156 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21331811 | 0.93 | SLC22A12 (0.55) | SLC22A12CYP2C9CYP3A4CYP2C19LMNA | |
| SCHEMBL28890905 | 0.92 | SLC22A12 (0.54) | SLC22A12CYP2C9CYP3A4CYP2C19LMNA | |
| SCHEMBL28411804 | 0.84 | SLC22A12 (0.47) | SLC22A12CYP2C9CYP3A4LMNAPRNP | |
| SCHEMBL21331838 | 0.84 | SLC22A12 (0.45) | SLC22A12CYP2C9CYP3A4CYP2C19LMNA | |
| SCHEMBL28408868 | 0.83 | SLC22A12 (0.41) | SLC22A12CYP2C9CYP3A4LMNAPRNP | |
| SCHEMBL28408876 | 0.82 | SLC22A12 (0.59) | SLC22A12CYP2C9CYP3A4CYP2C19CYP1A2 | |
| SCHEMBL21350625 | 0.81 | SLC22A12 (0.45) | SLC22A12CYP2C9CYP3A4CYP2C19PRNP | |
| SCHEMBL28890904 | 0.81 | SLC22A12 (0.43) | SLC22A12CYP2C9CYP3A4CYP2C19XIAP | |
| SCHEMBL28416803 | 0.80 | SLC22A12 (0.55) | SLC22A12CYP2C9CYP3A4CYP2C19LMNA | |
| SCHEMBL28418714 | 0.80 | SLC22A12 (0.57) | SLC22A12SLC22A11 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108440397-B | 3- (naphthalene-1-methyl substituted) pyridine derivative and synthesis method and application thereof | 南方医科大学 | 2020-06-05 | — | — | CN | disclosed |