Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 8/20 | 0.61 |
| ▸ | IGF1R | P08069 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ALPL | P05186 | 1/20 | 0.36 |
| ▸ | ALPI | P09923 | 1/20 | 0.36 |
| ▸ | ALPG | P10696 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28899863 | 0.86 | SLC22A12 (0.61) | SLC22A12IGF1RCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28899873 | 0.86 | SLC22A12 (0.48) | SLC22A12CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL30104157 | 0.80 | SLC22A12 (0.41) | SLC22A12CYP1A2CYP2C9CYP2C19GAA | |
| SCHEMBL28899921 | 0.80 | SLC22A12 (0.41) | SLC22A12CYP1A2CYP2C9CYP2C19GAA | |
| SCHEMBL28899860 | 0.79 | SLC22A12 (0.58) | SLC22A12CYP1A2CYP2C9CYP2C19KMT2A | |
| SCHEMBL28899861 | 0.77 | SLC22A12 (0.67) | SLC22A12CYP1A2CYP2C9CYP2C19KMT2A | |
| SCHEMBL30104166 | 0.74 | SLC22A12 (0.46) | SLC22A12CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28899847 | 0.74 | SLC22A12 (0.48) | SLC22A12CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL30104172 | 0.74 | SLC22A12 (0.61) | SLC22A12IGF1RCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28899855 | 0.69 | SLC22A12 (0.57) | SLC22A12IGF1RCYP1A2CYP2C9CYP2C19 |
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 |