Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 8/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | PDE2A | O00408 | 1/20 | 0.32 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.32 |
| ▸ | PDE11A | Q9HCR9 | 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 | |
|---|---|---|---|---|
| SCHEMBL28899853 | 1.00 | SLC22A12 (0.58) | SLC22A12CYP1A2CYP2C19CYP2C9ALDH1A1 | |
| SCHEMBL28899780 | 0.95 | SLC22A12 (0.60) | SLC22A12CYP1A2CYP2C19CYP2C9ALDH1A1 | |
| SCHEMBL30104167 | 0.95 | SLC22A12 (0.60) | SLC22A12CYP1A2CYP2C19CYP2C9ALDH1A1 | |
| SCHEMBL29259542 | 0.91 | SLC22A12 (0.67) | SLC22A12CYP1A2CYP2C19CYP2C9ALDH1A1 | |
| SCHEMBL28899862 | 0.90 | SLC22A12 (0.55) | SLC22A12CYP1A2CYP2C19CYP2C9ALDH1A1 | |
| SCHEMBL30104169 | 0.90 | SLC22A12 (0.55) | SLC22A12CYP1A2CYP2C19CYP2C9ALDH1A1 | |
| SCHEMBL29259543 | 0.88 | SLC22A12 (0.72) | SLC22A12CYP1A2CYP2C19CYP2C9HTT | |
| SCHEMBL28960090 | 0.85 | SLC22A12 (0.77) | SLC22A12CYP1A2CYP2C19CYP2C9ALDH1A1 | |
| SCHEMBL28899782 | 0.84 | SLC22A12 (0.69) | SLC22A12CYP1A2CYP2C19CYP2C9ALDH1A1 | |
| SCHEMBL29259545 | 0.84 | SLC22A12 (0.60) | SLC22A12CYP1A2CYP2C19CYP2C9ALDH1A1 |
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 |