Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | TYK2 | P29597 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.33 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15750735 | 1.00 | ALDH1A1 (0.39) | ALDH1A1GAAKDM4ECYP1A2CYP2A6 | |
| SCHEMBL61913 | 0.85 | ALDH1A1 (0.50) | ALDH1A1KDM4ECYP1A2CYP2A6TSHR | |
| SCHEMBL28221318 | 0.83 | ALDH1A1 (0.48) | ALDH1A1KDM4ECYP1A2CYP2A6TSHR | |
| SCHEMBL20694978 | 0.83 | ALDH1A1 (0.48) | ALDH1A1KDM4ECYP1A2CYP2A6TSHR | |
| SCHEMBL5649 | 0.83 | CYP1A2 (0.43) | ALDH1A1CYP1A2CYP2A6TSHRCA7 | |
| Magnesium Chloride Anhydrous SCHEMBL20694943 | 0.81 | ALDH1A1 (0.42) | ALDH1A1KDM4ECYP1A2CYP2A6TSHR | |
| SCHEMBL31155098 | 0.76 | ALDH1A1 (0.42) | ALDH1A1CYP1A2CYP2A6TSHRTRPA1 | |
| SCHEMBL29491135 | 0.74 | TSHR (0.52) | ALDH1A1KDM4ECYP1A2CYP2A6TSHR | |
| SCHEMBL15475697 | 0.74 | TSHR (0.52) | ALDH1A1KDM4ECYP1A2CYP2A6TSHR | |
| SCHEMBL15475941 | 0.74 | TRPA1 (0.52) | ALDH1A1GAAKDM4ECYP1A2CYP2A6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119487011-A | Compound and organic light emitting device comprising the same | 株式会社LG化学 | 2025-02-18 | — | — | CN | disclosed |
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |