Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | DRD3 | P35462 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | CASP7 | P55210 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.45 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.44 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.44 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7068337 | 0.95 | CYP3A4 (0.59) | PDE10ACYP3A4DRD3HTTCYP1A2 | |
| SCHEMBL14464160 | 0.90 | CYP3A4 (0.60) | PDE10ACYP3A4DRD3HTTCYP1A2 | |
| SCHEMBL23412137 | 0.87 | CYP3A4 (0.68) | PDE10ACYP3A4DRD3HTTCYP1A2 | |
| SCHEMBL32667931 | 0.86 | PDE10A (0.60) | PDE10ACYP3A4DRD3HTTCYP1A2 | |
| SCHEMBL23412263 | 0.85 | NPC1 (0.68) | PDE10ACYP3A4DRD3HTTCYP1A2 | |
| SCHEMBL30524215 | 0.85 | NPC1 (0.44) | PDE10ACYP3A4DRD3HTTNPC1 | |
| SCHEMBL28900537 | 0.84 | PDE10A (0.58) | PDE10ACYP3A4DRD3HTTCYP1A2 | |
| SCHEMBL31238784 | 0.84 | PDE10A (0.58) | PDE10ACYP3A4DRD3HTTCYP1A2 | |
| SCHEMBL12957491 | 0.84 | CYP3A4 (0.60) | PDE10ACYP3A4DRD3HTTCYP1A2 | |
| SCHEMBL27976043 | 0.83 | CYP3A4 (0.64) | PDE10ACYP3A4DRD3HTTCYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117327065-A | Carbazole derivatives as dopamine D2/3 receptor modulators | 北京大学 | 2024-01-02 | — | — | CN | disclosed |
| WO-2023143393-A1 | TRICYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海科技大学 | 2023-08-03 | — | — | WO | disclosed |
| CN-110776459-B | Cholinesterase inhibitors of 7-hydroxy-2-quinolone-dithiocarbamates | 江苏知原药业股份有限公司 | 2023-01-24 | — | — | CN | disclosed |