Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 3/20 | 0.62 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.62 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.60 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.59 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.59 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.59 |
| ▸ | SMPD1 | P17405 | 9/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL10859723 | 0.84 | AOC3 (0.61) | AOC3KCNH2SIGMAR1SLC6A2SLC6A4 | |
| SCHEMBL8789557 | 0.84 | AOC3 (0.66) | AOC3KCNH2SIGMAR1SLC6A2SLC6A4 | |
| SCHEMBL18137973 | 0.83 | PYCR1 (0.59) | AOC3SIGMAR1SMPD1 | |
| SCHEMBL10779537 | 0.83 | AOC3 (0.61) | AOC3SIGMAR1CYP3A4CYP2D6PMP22 | |
| SCHEMBL19043499 | 0.82 | AOC3 (0.54) | AOC3KCNH2SIGMAR1SLC6A2SLC6A4 | |
| SCHEMBL9671108 | 0.81 | KCNH2 (0.57) | AOC3KCNH2SIGMAR1SLC6A2SLC6A4 | |
| SCHEMBL648620 | 0.80 | AOC3 (0.71) | AOC3KCNH2SIGMAR1SLC6A2SLC6A4 | |
| SCHEMBL9160564 | 0.80 | AOC3 (0.60) | AOC3KCNH2SIGMAR1SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL8506777 | 0.79 | AOC3 (0.69) | AOC3KCNH2SIGMAR1 | |
| SCHEMBL18137939 | 0.79 | KCNH2 (0.61) | KCNH2SIGMAR1CYP1A2CYP3A4CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0509005-A1 | DIPHENYLSULPHOXIMINE MUSCARINIC RECEPTOR ANTAGONISTS | Pfizer Limited (GB) | 1992-10-21 | — | — | EP | disclosed |
| US-4578395-A | Certain aralkylaminoalkyl esters of 1,4 dihydropyridines as antihypertensive | TEIJIN LIMITED (JP) | 1986-03-25 | — | — | US | disclosed |