Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | APP | P05067 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.55 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.55 |
| ▸ | F7 | P08709 | 1/20 | 0.49 |
| ▸ | F3 | P13726 | 1/20 | 0.49 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.49 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.49 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.49 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.49 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.49 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.49 |
| ▸ | SIRT4 | Q9Y6E7 | 1/20 | 0.49 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2230084 | 0.83 | ALDH1A1 (0.47) | ALDH1A1APPGAAHCAR3HCAR2 | |
| SCHEMBL82140 | 0.83 | ALDH1A1 (0.58) | ALDH1A1APPGAAHCAR3HCAR2 | |
| SCHEMBL27873301 | 0.81 | ALDH1A1 (0.45) | ALDH1A1APPGAAHCAR3HCAR2 | |
| SCHEMBL888775 | 0.80 | ALDH1A1 (0.59) | ALDH1A1APPGAAHCAR3HCAR2 | |
| SCHEMBL29993557 | 0.80 | ALDH1A1 (0.59) | ALDH1A1APPGAAHCAR3HCAR2 | |
| SCHEMBL8380140 | 0.80 | L3MBTL1 (0.49) | ALDH1A1APPGAAHCAR3HCAR2 | |
| SCHEMBL7021730 | 0.80 | CA12 (0.49) | ALDH1A1HTTCYP3A4NPC1RAB9A | |
| Bromide SCHEMBL3428970 | 0.79 | ALDH1A1 (0.53) | ALDH1A1APPGAAHCAR3HCAR2 | |
| SCHEMBL5160515 | 0.79 | HCAR2 (0.48) | ALDH1A1APPGAAHCAR3HCAR2 | |
| SCHEMBL14490189 | 0.79 | ALDH1A1 (0.57) | ALDH1A1APPGAAHCAR3HCAR2 |
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-1340746-B1 | Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives | SALTIGO GMBH (DE) | 2007-02-28 | — | — | EP | disclosed |
| EP-1340746-A1 | Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives | BAYER AG (DE) | 2003-09-03 | — | — | EP | disclosed |