Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | PDE1A | P54750 | 2/20 | 0.47 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.47 |
| ▸ | PDE1C | Q14123 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | PDE5A | O76074 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | CASP7 | P55210 | 1/20 | 0.45 |
| ▸ | PDE2A | O00408 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL340194 | 0.84 | ALDH1A1 (0.69) | ALDH1A1CYP1A2CYP2C19CYP3A4TSHR | |
| SCHEMBL18338822 | 0.84 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2C19CYP3A4PDE1A | |
| SCHEMBL489728 | 0.82 | ALDH1A1 (0.63) | ALDH1A1CYP1A2CYP2C19CYP3A4TSHR | |
| SCHEMBL1705540 | 0.81 | ALDH1A1 (0.66) | ALDH1A1CYP1A2CYP2C19CYP3A4TSHR | |
| Acetic Acid SCHEMBL3776954 | 0.81 | ALDH1A1 (0.66) | ALDH1A1CYP1A2CYP2C19CYP3A4TSHR | |
| SCHEMBL8814146 | 0.74 | POLB (0.67) | ALDH1A1CYP1A2CYP2C19CYP3A4PDE1A | |
| SCHEMBL5718021 | 0.71 | POLB (0.62) | ALDH1A1CYP1A2CYP2C19CYP3A4TSHR | |
| SCHEMBL3389758 | 0.70 | ALDH1A1 (0.82) | ALDH1A1CYP1A2CYP2C19CYP3A4TSHR | |
| SCHEMBL4311418 | 0.70 | POLB (0.61) | ALDH1A1CYP1A2CYP2C19CYP3A4TSHR | |
| SCHEMBL11389501 | 0.70 | ADORA1 (0.61) | POLBADORA2AADORA2B |
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-0955043-B1 | Garment comprising an active ingredient that can be released by breaking a semi-durable chemical bond when the garment gets in contact with the skin. | PUGLIESE PETER T (US) | 2005-09-14 | — | — | EP | claimed |