Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.66 |
| ▸ | DRD2 | P14416 | 6/20 | 0.64 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.64 |
| ▸ | HTR2A | P28223 | 6/20 | 0.58 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.58 |
| ▸ | DRD3 | P35462 | 2/20 | 0.56 |
| ▸ | HTR1A | P08908 | 3/20 | 0.56 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.56 |
| ▸ | HTR6 | P50406 | 2/20 | 0.56 |
| ▸ | HTR7 | P34969 | 1/20 | 0.56 |
| ▸ | HTR2C | P28335 | 1/20 | 0.55 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.55 |
| ▸ | HRH1 | P35367 | 1/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL1545611 | 0.83 | ACHE (0.93) | ACHEDRD2SLC6A4HTR2ADRD3 | |
| SCHEMBL7356255 | 0.82 | DRD2 (0.77) | ACHEDRD2SLC6A4HTR2ADRD3 | |
| SCHEMBL1545219 | 0.81 | HTR2A (0.68) | ACHEDRD2SLC6A4HTR2AMCHR1 | |
| SCHEMBL1545461 | 0.80 | HTR1A (0.76) | DRD2HTR2ADRD3HTR1AHRH3 | |
| Hydrochloric Acid SCHEMBL7973986 | 0.80 | HTR1A (0.69) | ACHEDRD2SLC6A4HTR2ADRD3 | |
| SCHEMBL8871775 | 0.79 | ACHE (0.77) | ACHEDRD2SLC6A4HTR2AMCHR1 | |
| Methane SCHEMBL7348385 | 0.79 | HTR1A (0.65) | ACHEDRD2SLC6A4HTR2ADRD3 | |
| SCHEMBL793025 | 0.79 | ACHE (0.80) | ACHEDRD2SLC6A4HTR2ADRD3 | |
| SCHEMBL7351612 | 0.79 | ACHE (0.80) | ACHEDRD2SLC6A4HTR2ADRD3 | |
| SCHEMBL6182384 | 0.79 | ACHE (0.80) | ACHEDRD2SLC6A4HTR2ADRD3 |
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-2001017993-A1 | ALKYLPIPERIDI NYLBENZO [D] ISOXAZOLE DERIVATIVES HAVING PSYCHOTROPIC ACTIVITY, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND A PROCESS FOR THE PREPARATION OF THE ACTIVE INGREDIENT | EGIS Gyógyszergyár Rt. (HU) | 2001-03-15 | — | — | WO | disclosed |