Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 8/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | C1R | P00736 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | NTRK1 | P04629 | 3/20 | 0.35 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.35 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.35 |
| ▸ | PDE5A | O76074 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.34 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.34 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL28899774 | 0.88 | SLC22A12 (0.58) | SLC22A12CYP1A2CYP2C9CYP2C19KDM4E | |
| SCHEMBL28899847 | 0.86 | SLC22A12 (0.48) | SLC22A12CYP1A2CYP2C9CYP2C19C1R | |
| SCHEMBL28899743 | 0.81 | SLC22A12 (0.65) | SLC22A12APP | |
| SCHEMBL30104177 | 0.77 | SLC22A12 (0.61) | SLC22A12CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28899777 | 0.76 | SLC22A12 (0.68) | SLC22A12CYP1A2CYP2C9CYP2C19KDM4E | |
| SCHEMBL30104161 | 0.76 | SLC22A12 (0.46) | SLC22A12CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28899863 | 0.74 | SLC22A12 (0.61) | SLC22A12CYP1A2CYP2C9CYP2C19KDM4E | |
| SCHEMBL28899860 | 0.73 | SLC22A12 (0.58) | SLC22A12CYP1A2CYP2C9CYP2C19KDM4E | |
| SCHEMBL3340680 | 0.72 | NTRK1 (0.42) | CYP1A2CYP2C9CYP2C19NTRK1NTRK3 | |
| SCHEMBL30104158 | 0.72 | SLC22A12 (0.41) | SLC22A12CYP1A2CYP2C9CYP2C19MEN1 |
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 |