Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 8/20 | 0.61 |
| ▸ | IGF1R | P08069 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 3/20 | 0.36 |
| ▸ | BCHE | P06276 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CACNB4 | O00305 | 1/20 | 0.34 |
| ▸ | CACNA1A | O00555 | 1/20 | 0.34 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.34 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.34 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.34 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.34 |
| ▸ | CACNG3 | O60359 | 1/20 | 0.34 |
| ▸ | CACNA1F | O60840 | 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 | |
|---|---|---|---|---|
| SCHEMBL29259538 | 0.86 | SLC22A12 (0.61) | SLC22A12IGF1RACHEBCHECYP1A2 | |
| SCHEMBL28899880 | 0.80 | SLC22A12 (0.41) | SLC22A12CYP1A2CYP2C19CYP2C9SMN1; SMN2 | |
| SCHEMBL30104158 | 0.80 | SLC22A12 (0.41) | SLC22A12CYP1A2CYP2C19CYP2C9SMN1; SMN2 | |
| SCHEMBL28899774 | 0.79 | SLC22A12 (0.58) | SLC22A12CYP1A2CYP2C19CYP2C9SMN1; SMN2 | |
| SCHEMBL28899856 | 0.75 | SLC22A12 (0.73) | SLC22A12CYP1A2CYP2C19CYP2C9TP53 | |
| SCHEMBL30104161 | 0.74 | SLC22A12 (0.46) | SLC22A12CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL30104177 | 0.74 | SLC22A12 (0.61) | SLC22A12IGF1RCYP1A2CYP2C19CYP2C9 | |
| SCHEMBL28899737 | 0.74 | SLC22A12 (0.48) | SLC22A12CYP1A2CYP2C19CYP2C9SMN1; SMN2 | |
| SCHEMBL23975752 | 0.73 | KMT2A (0.51) | ACHEBCHETP53SMN1; SMN2MAPT | |
| SCHEMBL28899873 | 0.72 | SLC22A12 (0.48) | SLC22A12CYP1A2CYP2C19CYP2C9 |
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 |