Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.47 |
| ▸ | APP | P05067 | 1/20 | 0.47 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.47 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.47 |
| ▸ | F7 | P08709 | 1/20 | 0.46 |
| ▸ | F3 | P13726 | 1/20 | 0.46 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.46 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.46 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.46 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.46 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.46 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.46 |
| ▸ | SIRT4 | Q9Y6E7 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL18772496 | 0.84 | PKM (0.44) | ALDH1A1GAAAPPHCAR3HCAR2 | |
| SCHEMBL18772597 | 0.74 | ALDH1A1 (0.46) | ALDH1A1GAAAPPHCAR3HCAR2 | |
| SCHEMBL19965162 | 0.74 | PKM (0.40) | ALDH1A1GAAAPPHCAR3HCAR2 | |
| SCHEMBL6585602 | 0.72 | PKM (0.59) | ALDH1A1GAAAPPHCAR3HCAR2 | |
| SCHEMBL29496911 | 0.72 | — | — | |
| SCHEMBL8039612 | 0.72 | — | — | |
| SCHEMBL1699 | 0.72 | — | — | |
| SCHEMBL4186314 | 0.71 | GAA (0.59) | ALDH1A1GAAAPPHCAR3HCAR2 | |
| Iodide SCHEMBL10528928 | 0.70 | ALDH1A1 (0.63) | ALDH1A1GAAAPPHCAR3HCAR2 | |
| SCHEMBL29569031 | 0.70 | ALDH1A1 (0.63) | ALDH1A1GAAAPPHCAR3HCAR2 |
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-2953944-B1 | PYRIDAZINONE-AMIDES DERIVATIVES | MERCK PATENT GMBH (DE) | 2017-04-26 | — | — | EP | disclosed |