Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 12/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 1/20 | 0.34 |
| ▸ | RXRB | P28702 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | PRNP | P04156 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE6C | P51160 | 1/20 | 0.33 |
| ▸ | PDE11A | Q9HCR9 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28899749 | 0.91 | SLC22A12 (0.48) | SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL30104179 | 0.91 | SLC22A12 (0.48) | SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL29259545 | 0.84 | SLC22A12 (0.60) | SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL29259543 | 0.82 | SLC22A12 (0.72) | SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL29259687 | 0.82 | SLC22A12 (0.59) | SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL29259532 | 0.82 | SLC22A12 (0.51) | SLC22A12CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL28899862 | 0.82 | SLC22A12 (0.55) | SLC22A12CYP2C9CYP2C19CYP1A2ALDH1A1 | |
| SCHEMBL30104169 | 0.82 | SLC22A12 (0.55) | SLC22A12CYP2C9CYP2C19CYP1A2ALDH1A1 | |
| SCHEMBL30104154 | 0.81 | SLC22A12 (0.61) | SLC22A12CYP2C9CYP2C19CYP1A2ALDH1A1 | |
| SCHEMBL30104160 | 0.80 | SLC22A12 (0.47) | SLC22A12CYP2C9CYP2C19CYP1A2 |
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-B | Five-membered or six-membered fused ring pyrimidine cyclopropyl naphthalene derivative and preparation method and application thereof | 山东大学 | 2024-06-28 | — | — | CN | disclosed |