Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 13/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 11/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.39 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22997064 | 0.89 | AOC3 (0.57) | AOC3KCNH2 | |
| SCHEMBL18976819 | 0.89 | AOC3 (0.62) | AOC3KCNH2 | |
| SCHEMBL18977353 | 0.81 | AOC3 (0.60) | AOC3KCNH2TSHR | |
| SCHEMBL7119872 | 0.76 | AOC3 (0.74) | AOC3KCNH2 | |
| SCHEMBL16067932 | 0.72 | KCNH2 (0.67) | AOC3KCNH2 | |
| SCHEMBL20924559 | 0.71 | AOC3 (0.64) | AOC3KCNH2 | |
| SCHEMBL16053662 | 0.71 | AOC3 (1.00) | AOC3KCNH2 | |
| SCHEMBL20924438 | 0.70 | AOC3 (0.75) | AOC3KCNH2 | |
| SCHEMBL20924311 | 0.70 | AOC3 (0.59) | AOC3KCNH2 | |
| SCHEMBL18976968 | 0.70 | AOC3 (0.61) | AOC3KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3777846-A1 | VAP-1 INHIBITORS FOR TREATING PAIN | BenevolentAI Cambridge Limited (GB) | 2021-02-17 | — | — | EP | disclosed |