Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.54 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.51 |
| ▸ | DRD2 | P14416 | 1/20 | 0.48 |
| ▸ | DRD4 | P21917 | 1/20 | 0.48 |
| ▸ | ACACB | O00763 | 2/20 | 0.47 |
| ▸ | ACHE | P22303 | 5/20 | 0.45 |
| ▸ | MAOA | P21397 | 3/20 | 0.44 |
| ▸ | BCHE | P06276 | 2/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7848542 | 0.99 | HRH3 (0.53) | HRH3MCHR1DRD2DRD4ACACB | |
| SCHEMBL7838701 | 0.92 | HRH3 (0.62) | HRH3MCHR1DRD2DRD4ACACB | |
| SCHEMBL7847862 | 0.88 | HRH3 (0.52) | HRH3MCHR1DRD2DRD4ACACB | |
| Hydrochloric Acid SCHEMBL7849060 | 0.87 | HRH3 (0.52) | HRH3MCHR1DRD2DRD4ACACB | |
| SCHEMBL7846368 | 0.86 | HRH3 (0.54) | HRH3MCHR1DRD2DRD4ACACB | |
| Diethylamine SCHEMBL7847864 | 0.85 | HRH3 (0.52) | HRH3MCHR1DRD2DRD4ACACB | |
| Diethylamine SCHEMBL7849064 | 0.84 | HRH3 (0.51) | HRH3MCHR1DRD2DRD4ACACB | |
| Hydrochloric Acid SCHEMBL7846814 | 0.83 | HRH3 (0.48) | HRH3MCHR1DRD2DRD4ACACB | |
| SCHEMBL7838474 | 0.83 | HRH3 (0.59) | HRH3MCHR1DRD2DRD4ACACB | |
| Hydrochloric Acid SCHEMBL7846320 | 0.83 | HRH3 (0.57) | HRH3MCHR1ACHEMAOABCHE |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1122252-A1 | NITROGENOUS FUSED HETEROCYCLE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME | Takeda Chemical Industries, Ltd. (JP) | 2001-08-08 | — | — | EP | claimed |
| EP-1122252-A1 | NITROGENOUS FUSED HETEROCYCLE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME | Takeda Chemical Industries, Ltd. (JP) | 2001-08-08 | — | — | EP | disclosed |