Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | GABRP | O00591 | 2/20 | 0.36 |
| ▸ | GABRD | O14764 | 2/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.36 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.36 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.36 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.36 |
| ▸ | GABRE | P78334 | 2/20 | 0.36 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.36 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.36 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.36 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Pivalate SCHEMBL12076234 | 1.00 | ALDH1A1 (0.41) | ALDH1A1ALOX15TRPA1GABRPGABRD | |
| Bicarbonate SCHEMBL18224038 | 0.84 | ALDH1A1 (0.48) | ALDH1A1ALOX15TRPA1GABRPGABRD | |
| Acetic Acid SCHEMBL7950964 | 0.81 | ALDH1A1 (0.52) | ALDH1A1ALOX15TRPA1GABRPGABRD | |
| Pivalate SCHEMBL6881973 | 0.79 | ACACB (0.34) | ALDH1A1GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL28800081 | 0.79 | ACACB (0.38) | ALDH1A1ALOX15TRPA1GABRPGABRD | |
| SCHEMBL5836657 | 0.79 | ALDH1A1 (0.44) | ALDH1A1ALOX15TRPA1GABRPGABRD | |
| Pivalate SCHEMBL6900876 | 0.78 | TSHR (0.47) | ALDH1A1TSHRCYP2D6CYP2C19HIF1A | |
| Pivalate SCHEMBL29138458 | 0.78 | TSHR (0.47) | ALDH1A1TSHRCYP2D6CYP2C19HIF1A | |
| SCHEMBL28762 | 0.78 | — | — | |
| Malonic Acid SCHEMBL30288558 | 0.77 | LDHA (0.47) | ALDH1A1ALOX15TRPA1GABRPGABRD |
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 |
|---|---|---|---|---|---|---|---|
| CN-109310777-B | Core-shell structure, preparation, external preparation, adhesive tape agent, and cosmetic | 积水化学工业株式会社 | 2021-07-30 | — | — | CN | disclosed |