Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 13/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | SRC | P12931 | 2/20 | 0.40 |
| ▸ | GSK3B | P49841 | 2/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.40 |
| ▸ | RXRA | P19793 | 1/20 | 0.38 |
| ▸ | RXRB | P28702 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28899859 | 0.91 | SLC22A12 (0.84) | SLC22A12CYP1A2CYP2C9CYP2C19SRC | |
| SCHEMBL29259548 | 0.88 | SLC22A12 (0.78) | SLC22A12CYP1A2CYP2C9CYP2C19KDM4E | |
| SCHEMBL30978154 | 0.88 | SLC22A12 (0.78) | SLC22A12CYP1A2CYP2C9CYP2C19GSK3B | |
| SCHEMBL30978157 | 0.87 | SLC22A12 (0.76) | SLC22A12CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28899763 | 0.82 | SLC22A12 (0.70) | SLC22A12CYP1A2CYP2C9CYP2C19SRC | |
| SCHEMBL30978152 | 0.81 | SLC22A12 (1.00) | SLC22A12CYP1A2CYP2C9CYP2C19RXRA | |
| SCHEMBL29259688 | 0.81 | SLC22A12 (1.00) | SLC22A12CYP1A2CYP2C9CYP2C19RXRA | |
| SCHEMBL28960094 | 0.81 | SLC22A12 (0.72) | SLC22A12CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28899771 | 0.80 | SLC22A12 (0.71) | SLC22A12CYP1A2CYP2C9CYP2C19KDM4E | |
| SCHEMBL28899905 | 0.79 | SLC22A12 (0.66) | SLC22A12CYP1A2CYP2C9CYP2C19SRC |
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-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 |