Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 16/20 | 0.72 |
| ▸ | DRD1 | P21728 | 7/20 | 0.72 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.72 |
| ▸ | DRD4 | P21917 | 3/20 | 0.72 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.72 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.72 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.72 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.72 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.72 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.72 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.72 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.72 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.72 |
| ▸ | DRD3 | P35462 | 2/20 | 0.72 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.72 |
| ▸ | MEN1 | O00255 | 1/20 | 0.72 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.72 |
| ▸ | HTR3B | O95264 | 1/20 | 0.72 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.72 |
| ▸ | LMNA | P02545 | 1/20 | 0.72 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL18639888 | 0.90 | DRD2 (0.73) | DRD2DRD1CHRM1DRD4CYP1A2 | |
| SCHEMBL29447350 | 0.89 | DRD2 (0.72) | DRD2DRD1CHRM1DRD4CYP1A2 | |
| SCHEMBL29898495 | 0.89 | DRD2 (0.72) | DRD2DRD1CHRM1DRD4CYP1A2 | |
| SCHEMBL9014028 | 0.89 | DRD2 (0.72) | DRD2DRD1CHRM1DRD4CYP1A2 | |
| Hydrochloric Acid SCHEMBL30464869 | 0.88 | DRD2 (0.71) | DRD2DRD1CHRM1DRD4CYP1A2 | |
| SCHEMBL20887469 | 0.87 | DRD2 (0.88) | DRD2DRD1CHRM1DRD4CYP1A2 | |
| Clozapine SCHEMBL29283918 | 0.84 | DRD2 (0.95) | DRD2DRD1CHRM1DRD4CYP1A2 | |
| Clozapine SCHEMBL20876213 | 0.84 | DRD2 (1.00) | DRD2DRD1CHRM1DRD4CYP1A2 | |
| Clozapine SCHEMBL29590817 | 0.84 | DRD2 (1.00) | DRD2DRD1CHRM1DRD4CYP1A2 | |
| Clozapine SCHEMBL8397 | 0.84 | DRD2 (1.00) | DRD2DRD1CHRM1DRD4CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016186559-A1 | METHOD FOR INVESTIGATING BLOOD-BRAIN BARRIER PROPERTIES AND BRAIN METABOLISM USING INSECT BRAINS | QUIXOLABS AB (SE) | 2016-11-24 | — | — | WO | disclosed |