Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH2 | P25021 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | ATP4A | P20648 | 1/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11483715 | 1.00 | HRH2 (0.46) | HRH2CYP3A4CYP2D6MAPTBCHE | |
| SCHEMBL11373952 | 0.87 | CYP3A4 (0.47) | HRH2CYP3A4CYP2D6MAPTBCHE | |
| SCHEMBL11373933 | 0.87 | CYP3A4 (0.47) | HRH2CYP3A4CYP2D6MAPTBCHE | |
| SCHEMBL10781080 | 0.85 | ACHE (0.48) | HRH2CYP3A4CYP2D6MAPTBCHE | |
| SCHEMBL11483720 | 0.84 | CYP3A4 (0.55) | HRH2CYP3A4CYP2D6MAPTBCHE | |
| SCHEMBL11485664 | 0.84 | BCHE (0.41) | HRH2CYP3A4CYP2D6MAPTBCHE | |
| SCHEMBL11485667 | 0.84 | BCHE (0.41) | HRH2CYP3A4CYP2D6MAPTBCHE | |
| SCHEMBL11485073 | 0.83 | CYP3A4 (0.46) | HRH2CYP3A4CYP2D6MAPTBCHE | |
| SCHEMBL11485067 | 0.83 | CYP3A4 (0.46) | HRH2CYP3A4CYP2D6MAPTBCHE | |
| SCHEMBL11489839 | 0.82 | HRH2 (0.42) | HRH2CYP3A4CYP2D6MAPTBCHE |
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-4200578-A | ANTIULCER AGENTS, BLOCKING AGENTS, ANTISECRETORY AGENTS | BRISTOL-MYERS COMPANY (US) | 1980-04-29 | — | — | US | disclosed |