Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 8/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | SRC | P12931 | 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 | |
|---|---|---|---|---|
| SCHEMBL29259532 | 0.85 | SLC22A12 (0.51) | SLC22A12CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL29259535 | 0.82 | SLC22A12 (0.48) | SLC22A12CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28899921 | 0.81 | SLC22A12 (0.41) | SLC22A12CYP1A2CYP2C9CYP2C19GAA | |
| SCHEMBL30104158 | 0.81 | SLC22A12 (0.41) | SLC22A12CYP1A2CYP2C9CYP2C19GAA | |
| SCHEMBL30104157 | 0.81 | SLC22A12 (0.41) | SLC22A12CYP1A2CYP2C9CYP2C19GAA | |
| SCHEMBL28899880 | 0.81 | SLC22A12 (0.41) | SLC22A12CYP1A2CYP2C9CYP2C19GAA | |
| SCHEMBL29259545 | 0.81 | SLC22A12 (0.60) | SLC22A12CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL29259543 | 0.80 | SLC22A12 (0.72) | SLC22A12CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL29259546 | 0.80 | SLC22A12 (0.51) | SLC22A12CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28899862 | 0.79 | SLC22A12 (0.55) | SLC22A12CYP1A2CYP2C9CYP2C19GAA |
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-115417825-A | Five-membered or six-membered fused ring pyrimidine cyclopropyl naphthalene derivative and preparation method and application thereof | 山东大学 | 2022-12-02 | — | — | CN | disclosed |