Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.62 |
| ▸ | CES1 | P23141 | 1/20 | 0.62 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.53 |
| ▸ | CDC25B | P30305 | 2/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.48 |
| ▸ | LIG1 | P18858 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | CDC25A | P30304 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL7011648 | 0.87 | KMT2A (0.57) | CES2CES1AKR1C3NR4A1ALDH1A1 | |
| SCHEMBL420 | 0.87 | CES2 (0.49) | CES2CES1ATMALDH1A1TSHR | |
| SCHEMBL118227 | 0.85 | CES2 (0.77) | CES2CES1ATMALDH1A1TSHR | |
| SCHEMBL187134 | 0.84 | CES2 (0.61) | CES2CES1ALDH1A1TSHRTRPA1 | |
| SCHEMBL9541276 | 0.84 | CES2 (0.61) | CES2CES1ALDH1A1TSHRTRPA1 | |
| SCHEMBL7017547 | 0.84 | TSHR (0.62) | CES2CES1CDC25BALDH1A1TSHR | |
| SCHEMBL7017613 | 0.83 | STS (0.56) | CES2CES1ATMALDH1A1HSD17B10 | |
| SCHEMBL10429982 | 0.83 | ALDH1A1 (0.45) | CES2CES1AKR1C3ALDH1A1CYP1A2 | |
| Dimethylamine SCHEMBL6131311 | 0.82 | CES2 (0.67) | CES2CES1ATMALDH1A1TSHR | |
| SCHEMBL1041339 | 0.81 | CES2 (0.54) | CES2CES1AKR1C3CDC25BATM |
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-1993005028-A1 | RECEPTOR COMPOUNDS BASED ON 1,7-DIOXA-4,10-DIAZACYCLODODECANE | SCIMAT LIMITED (GB) | 1993-03-18 | — | — | WO | disclosed |