Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.35 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 3/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Fluoride Ion SCHEMBL8981546 | 0.97 | ALDH1A1 (0.34) | ALDH1A1PKMSCN10AAOC3KIF11 | |
| SCHEMBL8981551 | 0.94 | ALDH1A1 (0.33) | ALDH1A1PKMSCN10AAOC3KIF11 | |
| SCHEMBL8690601 | 0.82 | AOC3 (0.38) | ALDH1A1PKMAOC3CA12CA1 | |
| SCHEMBL7043985 | 0.74 | CA1 (0.55) | ALDH1A1AOC3KIF11KCNH2CA12 | |
| SCHEMBL8614283 | 0.74 | — | — | |
| SCHEMBL18537263 | 0.68 | KIF11 (0.54) | AOC3KIF11KCNH2CA12CA1 | |
| SCHEMBL28770177 | 0.68 | KIF11 (0.54) | AOC3KIF11KCNH2CA12CA1 | |
| SCHEMBL472791 | 0.67 | GSK3B (0.46) | ALDH1A1POLBCA12CA1CA2 | |
| SCHEMBL3799108 | 0.66 | CA1 (0.55) | ALDH1A1SCN10AAOC3KIF11KCNH2 | |
| Iodide SCHEMBL25236331 | 0.65 | CA1 (0.52) | ALDH1A1SCN10AAOC3KIF11KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1995001967-A1 | NOVEL (1-PHENYL-1-HETEROCYCLYL)ALKANE DERIVATIVES AND THEIR USE AS NEUROPROTECTIVE AGENTS | ASTRA AKTIEBOLAG (SE) | 1995-01-19 | — | — | WO | disclosed |