Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.61 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | RIOK2 | Q9BVS4 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29475635 | 0.88 | CYP2A6 (0.76) | CYP1A2CYP2A6TRPA1AKR1C3AKR1C2 | |
| SCHEMBL1878783 | 0.88 | CYP2A6 (0.76) | CYP1A2CYP2A6TRPA1AKR1C3AKR1C2 | |
| SCHEMBL6885287 | 0.80 | CYP2A6 (0.73) | CYP1A2CYP2A6TRPA1AKR1C3AKR1C2 | |
| SCHEMBL6890734 | 0.80 | CYP2A6 (0.73) | CYP1A2CYP2A6TRPA1AKR1C3AKR1C2 | |
| SCHEMBL29407167 | 0.80 | CYP2A6 (0.80) | CYP1A2CYP2A6TRPA1AKR1C3AKR1C2 | |
| SCHEMBL347592 | 0.80 | CYP2A6 (0.80) | CYP1A2CYP2A6TRPA1AKR1C3AKR1C2 | |
| SCHEMBL8240107 | 0.77 | CYP1A2 (0.56) | CYP1A2CYP2A6TRPA1AKR1C3AKR1C2 | |
| SCHEMBL9845624 | 0.77 | CYP1A2 (0.61) | CYP1A2CYP2A6TRPA1AKR1C3AKR1C2 | |
| SCHEMBL15345795 | 0.77 | CYP2A6 (0.61) | CYP1A2CYP2A6TRPA1AKR1C3AKR1C2 | |
| SCHEMBL7754288 | 0.77 | CYP2A6 (0.64) | CYP1A2CYP2A6TRPA1AKR1C3AKR1C2 |
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-116789604-A | 1,3, 4-substituted 2-thioether pyridazine derivative and preparation method thereof | 浙大城市学院 | 2023-09-22 | — | — | CN | disclosed |