Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 10/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 5/20 | 0.34 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | AURKB | Q96GD4 | 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 | |
|---|---|---|---|---|
| SCHEMBL28899905 | 0.91 | SLC22A12 (0.66) | SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL28899756 | 0.88 | SLC22A12 (0.72) | SLC22A12CYP2C9CYP2C19CYP1A2ALK | |
| SCHEMBL28899777 | 0.83 | SLC22A12 (0.68) | SLC22A12CYP2C9CYP2C19CYP1A2HPGD | |
| SCHEMBL30104174 | 0.83 | SLC22A12 (0.65) | SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL28899763 | 0.83 | SLC22A12 (0.70) | SLC22A12CYP2C9CYP2C19CYP1A2MAPK14 | |
| SCHEMBL28899761 | 0.82 | SLC22A12 (0.61) | SLC22A12CYP2C9CYP2C19CYP1A2HPGD | |
| SCHEMBL30104163 | 0.82 | SLC22A12 (0.49) | SLC22A12CYP2C9CYP2C19CYP1A2ALK | |
| SCHEMBL28899736 | 0.81 | SLC22A12 (0.61) | SLC22A12CYP2C9CYP2C19CYP1A2HPGD | |
| SCHEMBL28899861 | 0.80 | SLC22A12 (0.67) | SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL28899841 | 0.80 | SLC22A12 (0.56) | SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4 |
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-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 |
| 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 |