Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.58 |
| ▸ | GAA | P10253 | 2/20 | 0.58 |
| ▸ | CES2 | O00748 | 1/20 | 0.58 |
| ▸ | BCHE | P06276 | 1/20 | 0.58 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.57 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.50 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.49 |
| ▸ | CDC25A | P30304 | 1/20 | 0.49 |
| ▸ | GALR3 | O60755 | 3/20 | 0.46 |
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | METAP2 | P50579 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL12943040 | 0.83 | CHRM5 (0.49) | ALDH1A1GAAAOC3MAPTMEN1 | |
| SCHEMBL4185409 | 0.82 | AOC3 (0.56) | CES1ALDH1A1NPSR1GAACES2 | |
| SCHEMBL3047148 | 0.81 | ALDH1A1 (0.67) | CES1ALDH1A1NPSR1GAACES2 | |
| SCHEMBL4803974 | 0.81 | ALDH1A1 (0.62) | CES1ALDH1A1NPSR1GAACES2 | |
| SCHEMBL10584174 | 0.78 | KDM4E (0.59) | ALDH1A1NPSR1GAAMAPTPPARG | |
| SCHEMBL5353595 | 0.77 | KMT2A (0.70) | CES1ALDH1A1NPSR1GAACES2 | |
| SCHEMBL4185336 | 0.77 | AOC3 (0.51) | CES1ALDH1A1NPSR1GAACES2 | |
| SCHEMBL25707296 | 0.77 | AOC3 (0.46) | CES1ALDH1A1NPSR1GAACES2 | |
| SCHEMBL25706948 | 0.76 | AOC3 (0.48) | CES1ALDH1A1NPSR1GAACES2 | |
| SCHEMBL20721761 | 0.76 | CES1 (0.73) | CES1ALDH1A1NPSR1GAACES2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7459284-B2 | Chemiluminescent acridinium compounds and analogues thereof as substrates of hydrolytic enzymes | SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) | 2008-12-02 | — | — | US | disclosed |