Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.80 |
| ▸ | DRD2 | P14416 | 5/20 | 0.78 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.78 |
| ▸ | HTR2A | P28223 | 6/20 | 0.62 |
| ▸ | HTR7 | P34969 | 4/20 | 0.61 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.61 |
| ▸ | DRD3 | P35462 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL793025 | 1.00 | ACHE (0.80) | ACHEDRD2SLC6A4HTR2AHTR7 | |
| Naphthalene SCHEMBL8523934 | 0.94 | ACHE (0.72) | ACHEDRD2SLC6A4HTR2AHTR7 | |
| SCHEMBL791116 | 0.93 | ACHE (0.77) | ACHEDRD2SLC6A4HTR2AHTR7 | |
| SCHEMBL1545611 | 0.92 | ACHE (0.93) | ACHEDRD2SLC6A4HTR2AHTR7 | |
| SCHEMBL791471 | 0.92 | ACHE (0.75) | ACHEDRD2SLC6A4HTR2AKCNH2 | |
| Hydrochloric Acid SCHEMBL1544617 | 0.92 | ACHE (0.75) | ACHEDRD2SLC6A4HTR2AHTR7 | |
| Hydrochloric Acid SCHEMBL1545291 | 0.91 | ACHE (0.73) | ACHEDRD2SLC6A4HTR2AKCNH2 | |
| Propylamine SCHEMBL28972666 | 0.91 | DRD2 (0.91) | ACHEDRD2SLC6A4HTR2AHTR7 | |
| SCHEMBL7351612 | 0.88 | ACHE (0.80) | ACHEDRD2SLC6A4HTR2AHTR7 | |
| SCHEMBL6182384 | 0.88 | ACHE (0.80) | ACHEDRD2SLC6A4HTR2AHTR7 |
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 |
|---|---|---|---|---|---|---|---|
| US-RE37729-E1 | 4-Heteroaryl-1-piperidinealkylamines and derivatives thereof and their therapeutic utility | AVENTIS PHARMACEUTICALS INC. | 2002-06-04 | — | — | US | disclosed |