Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 6/20 | 0.66 |
| ▸ | DRD2 | P14416 | 5/20 | 0.66 |
| ▸ | DRD4 | P21917 | 4/20 | 0.66 |
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.66 |
| ▸ | DRD3 | P35462 | 3/20 | 0.66 |
| ▸ | HRH1 | P35367 | 2/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.66 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.66 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.66 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.66 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.66 |
| ▸ | DRD1 | P21728 | 2/20 | 0.66 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.66 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.66 |
| ▸ | MEN1 | O00255 | 1/20 | 0.66 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.66 |
| ▸ | HTR3B | O95264 | 1/20 | 0.66 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.66 |
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 | |
|---|---|---|---|---|
| SCHEMBL11531754 | 0.86 | CHRM1 (0.70) | CHRM1HRH1PAK1 | |
| SCHEMBL11529453 | 0.84 | CHRM1 (0.64) | CHRM1DRD2DRD4HRH4DRD3 | |
| SCHEMBL11535917 | 0.83 | DRD2 (0.67) | CHRM1DRD2DRD4HRH4DRD3 | |
| SCHEMBL11530499 | 0.81 | DRD2 (0.60) | CHRM1DRD2DRD4HRH4DRD3 | |
| SCHEMBL9372306 | 0.81 | DRD2 (0.59) | CHRM1DRD2DRD4HRH4DRD3 | |
| SCHEMBL11533730 | 0.80 | CHRM1 (0.71) | CHRM1DRD2DRD4HRH4DRD3 | |
| SCHEMBL11529060 | 0.80 | DRD2 (0.58) | CHRM1DRD2DRD4HRH4DRD3 | |
| Clozapine SCHEMBL8397 | 0.80 | DRD2 (1.00) | CHRM1DRD2DRD4HRH4DRD3 | |
| Clozapine SCHEMBL29360001 | 0.80 | DRD2 (1.00) | CHRM1DRD2DRD4HRH4DRD3 | |
| Clozapine SCHEMBL20876213 | 0.80 | DRD2 (1.00) | CHRM1DRD2DRD4HRH4DRD3 |
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 |
|---|---|---|---|---|---|---|---|
| US-4172831-A | CENTRAL NERVOUS SYSTEM | LILLY INDUSTRIES LIMITED (GB) | 1979-10-30 | — | — | US | disclosed |
| US-4115574-A | CNS ACTIVITY | LILLY INDUSTRIES LIMITED (GB) | 1978-09-19 | — | — | US | disclosed |
| US-4115568-A | CNS ACTIVITY | LILLY INDUSTRIES LIMITED (GB) | 1978-09-19 | — | — | US | disclosed |