Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 14/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.63 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | FLT3 | P36888 | 1/20 | 0.33 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.33 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.33 |
| ▸ | PIM2 | Q9P1W9 | 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 | |
|---|---|---|---|---|
| SCHEMBL30978154 | 0.91 | SLC22A12 (0.78) | SLC22A12CYP1A2CYP2C9CYP2C19PTK2 | |
| SCHEMBL28899859 | 0.87 | SLC22A12 (0.84) | SLC22A12CYP1A2CYP2C9CYP2C19CNR2 | |
| SCHEMBL30104159 | 0.87 | SLC22A12 (0.63) | SLC22A12CYP1A2CYP2C9CYP2C19CNR2 | |
| SCHEMBL30104162 | 0.83 | SLC22A12 (0.74) | SLC22A12CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL30104174 | 0.83 | SLC22A12 (0.65) | SLC22A12CYP1A2CYP2C9CYP2C19PTK2 | |
| SCHEMBL28960094 | 0.83 | SLC22A12 (0.72) | SLC22A12CYP1A2CYP2C9CYP2C19CNR2 | |
| SCHEMBL28899763 | 0.83 | SLC22A12 (0.70) | SLC22A12CYP1A2CYP2C9CYP2C19CNR2 | |
| SCHEMBL30104178 | 0.83 | SLC22A12 (0.84) | SLC22A12CYP1A2CYP2C9CYP2C19PTK2 | |
| SCHEMBL30104168 | 0.81 | SLC22A12 (0.84) | SLC22A12CYP1A2CYP2C9CYP2C19PTK2 | |
| SCHEMBL28899917 | 0.80 | SLC22A12 (0.61) | SLC22A12CYP1A2CYP2C9CYP2C19CNR2 |
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 |