Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 14/20 | 0.53 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28231754 | 0.83 | ACHE (0.50) | ACHEEPHX1ALDH1A1NPC1RAB9A | |
| SCHEMBL6201757 | 0.82 | ACHE (0.50) | ACHEEPHX1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL3956624 | 0.82 | ACHE (0.53) | ACHEEPHX1ALDH1A1 | |
| SCHEMBL28230804 | 0.80 | ACHE (0.47) | ACHEEPHX1ALDH1A1NPC1RAB9A | |
| SCHEMBL856208 | 0.79 | ACHE (0.50) | ACHEEPHX1ALDH1A1NPC1RAB9A | |
| SCHEMBL7048610 | 0.79 | ACHE (0.50) | ACHEEPHX1ALDH1A1 | |
| SCHEMBL8800666 | 0.78 | ACHE (0.51) | ACHEEPHX1ALDH1A1 | |
| SCHEMBL1534985 | 0.78 | ACHE (0.53) | ACHEEPHX1ALDH1A1 | |
| SCHEMBL4764643 | 0.77 | ACHE (0.51) | ACHEEPHX1 | |
| SCHEMBL11411528 | 0.77 | ACHE (0.64) | ACHEEPHX1ALDH1A1 |
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-5688946-A | DIPEPTIDES FOR HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS | HOFFMANN LA ROCHE INC. (US) | 1997-11-18 | — | — | US | disclosed |