Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 13/20 | 0.74 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.72 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.72 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.72 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.39 |
| ▸ | PRNP | P04156 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL30104178 | 0.92 | SLC22A12 (0.84) | SLC22A12CYP1A2CYP2C19CYP2C9MAPK1 | |
| SCHEMBL30104168 | 0.91 | SLC22A12 (0.84) | SLC22A12CYP1A2CYP2C19CYP2C9MAPK1 | |
| SCHEMBL28899771 | 0.87 | SLC22A12 (0.71) | SLC22A12CYP1A2CYP2C19CYP2C9MAPK1 | |
| SCHEMBL30104171 | 0.87 | SLC22A12 (0.59) | SLC22A12CYP1A2CYP2C19CYP2C9MAPK1 | |
| SCHEMBL30104174 | 0.83 | SLC22A12 (0.65) | SLC22A12CYP1A2CYP2C19CYP2C9KMT2A | |
| SCHEMBL30104170 | 0.83 | SLC22A12 (0.65) | SLC22A12CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL28899925 | 0.82 | SLC22A12 (0.87) | SLC22A12CYP1A2CYP2C19CYP2C9MAPK1 | |
| SCHEMBL28899777 | 0.82 | SLC22A12 (0.68) | SLC22A12CYP1A2CYP2C19CYP2C9MAPK1 | |
| SCHEMBL30978154 | 0.81 | SLC22A12 (0.78) | SLC22A12CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL28899854 | 0.80 | SLC22A12 (0.68) | SLC22A12CYP1A2CYP2C19CYP2C9MAPK1 |
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 |