Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 8/20 | 0.76 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28899857 | 0.95 | SLC22A12 (0.79) | SLC22A12CYP1A2CYP2C9CYP2C19ABCB1 | |
| SCHEMBL28899925 | 0.90 | SLC22A12 (0.87) | SLC22A12CYP1A2CYP2C9CYP2C19ABCB1 | |
| SCHEMBL28899782 | 0.90 | SLC22A12 (0.69) | SLC22A12CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL28899736 | 0.89 | SLC22A12 (0.61) | SLC22A12CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL28899854 | 0.84 | SLC22A12 (0.68) | SLC22A12CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL30104168 | 0.84 | SLC22A12 (0.84) | SLC22A12CYP1A2CYP2C9CYP2C19KDM4E | |
| SCHEMBL28899761 | 0.83 | SLC22A12 (0.61) | SLC22A12CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL30104175 | 0.83 | SLC22A12 (0.65) | SLC22A12CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28960090 | 0.81 | SLC22A12 (0.77) | SLC22A12CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL29259548 | 0.81 | SLC22A12 (0.78) | SLC22A12CYP1A2CYP2C9CYP2C19KDM4E |
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 |