Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HRH2 | P25021 | 1/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11485067 | 1.00 | CYP3A4 (0.46) | CYP3A4CYP2D6MAPTHRH2BCHE | |
| SCHEMBL11485083 | 0.85 | CYP3A4 (0.52) | CYP3A4CYP2D6MAPTHRH2BCHE | |
| SCHEMBL11483718 | 0.83 | HRH2 (0.46) | CYP3A4CYP2D6MAPTHRH2BCHE | |
| SCHEMBL11483715 | 0.83 | HRH2 (0.46) | CYP3A4CYP2D6MAPTHRH2BCHE | |
| SCHEMBL9640102 | 0.83 | CYP3A4 (0.42) | CYP3A4CYP2D6MAPTHRH2 | |
| SCHEMBL9639227 | 0.82 | HRH2 (0.40) | CYP3A4CYP2D6MAPTHRH2BCHE | |
| SCHEMBL9639184 | 0.81 | CYP3A4 (0.41) | CYP3A4CYP2D6MAPTHRH2BCHE | |
| Tiotidine SCHEMBL9334786 | 0.81 | CYP3A4 (0.69) | CYP3A4CYP2D6MAPTHRH2BCHE | |
| Tiotidine SCHEMBL9334796 | 0.81 | CYP3A4 (0.69) | CYP3A4CYP2D6MAPTHRH2BCHE | |
| Tiotidine SCHEMBL29395931 | 0.81 | CYP3A4 (0.69) | CYP3A4CYP2D6MAPTHRH2BCHE |
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 |