Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | CDK1 | P06493 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CHIA | Q9BZP6 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9316966 | 0.85 | GAA (0.50) | GAACDK1CYP1A2ALDH1A1MAPT | |
| SCHEMBL53468 | 0.82 | GAA (0.47) | GAACDK1CYP1A2ALDH1A1MAPT | |
| SCHEMBL29510603 | 0.82 | GAA (0.47) | GAACDK1CYP1A2ALDH1A1MAPT | |
| SCHEMBL6812884 | 0.81 | GAA (0.47) | GAACDK1CYP1A2ALDH1A1MAPT | |
| SCHEMBL8539345 | 0.80 | GAA (0.45) | GAACDK1CYP1A2ALDH1A1MAPT | |
| SCHEMBL8539307 | 0.79 | GAA (0.44) | GAACDK1CYP1A2ALDH1A1MAPT | |
| SCHEMBL6573975 | 0.79 | GAA (0.54) | GAACDK1CYP1A2ALDH1A1MAPT | |
| SCHEMBL8859618 | 0.79 | GAA (0.60) | GAACDK1CYP1A2ALDH1A1MAPT | |
| SCHEMBL10948960 | 0.78 | GAA (0.52) | GAACDK1CYP1A2MAPTTP53 | |
| SCHEMBL8534941 | 0.77 | GAA (0.49) | GAACDK1CYP1A2ALDH1A1MAPT |
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-5280007-A | Using 1-(a,a-dimethylbenzyl)-3-p-tolyurea and s-(1-methyl-1-phenylethyl-1-piperidinecarbothioate | AMERICAN CYANAMID COMPANY (US) | 1994-01-18 | — | — | US | claimed |