Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.57 |
| ▸ | DRD3 | P35462 | 2/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.57 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.57 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.57 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.57 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.57 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.57 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.57 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.45 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.45 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.45 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.45 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.45 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.45 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11479249 | 0.88 | GRIN2D (0.46) | HRH3CYP2D6DRD3KCNH2SIGMAR1 | |
| SCHEMBL21439343 | 0.86 | HRH3 (0.53) | HRH3CYP2D6DRD3KCNH2SIGMAR1 | |
| SCHEMBL21439516 | 0.86 | HRH3 (0.53) | HRH3CYP2D6DRD3KCNH2SIGMAR1 | |
| SCHEMBL11434667 | 0.85 | KMT2A (0.51) | HRH3CYP2D6DRD3KCNH2SIGMAR1 | |
| SCHEMBL19043183 | 0.84 | HRH3 (0.53) | HRH3CYP2D6DRD3KCNH2SIGMAR1 | |
| SCHEMBL11159052 | 0.84 | GRIN2D (0.56) | HRH3CYP2D6SIGMAR1GRIN2DGRIN3B | |
| SCHEMBL19088356 | 0.84 | HRH3 (0.52) | HRH3CYP2D6DRD3KCNH2SIGMAR1 | |
| SCHEMBL11459625 | 0.83 | DRD3 (0.49) | HRH3CYP2D6DRD3KCNH2SIGMAR1 | |
| SCHEMBL20382733 | 0.83 | HRH3 (0.46) | HRH3CYP2D6DRD3KCNH2SIGMAR1 | |
| SCHEMBL359213 | 0.82 | GRIN2D (0.57) | CYP2D6SIGMAR1GRIN2DGRIN3BADRA1D |
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-2019195775-A1 | TOLPERISONE ANALOGS AND METHODS OF USE | FLEX PHARMA, INC. (US) | 2019-10-10 | — | — | WO | disclosed |