Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 1/20 | 0.61 |
| ▸ | FYN | P06241 | 1/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | TPMT | P51580 | 2/20 | 0.32 |
| ▸ | PKM | P14618 | 2/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA3 | P07451 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Di(Hydroxyethyl)Ether SCHEMBL28300360 | 0.94 | LCK (0.69) | LCKFYNCYP1A2PLA2G2ACYP2C19 | |
| Di(Hydroxyethyl)Ether SCHEMBL28649472 | 0.91 | LCK (0.61) | LCKFYNCYP1A2PLA2G2ACYP2C19 | |
| Tetrylammonium SCHEMBL28646755 | 0.90 | LCK (0.56) | LCKFYNCYP1A2PLA2G2ACYP2C19 | |
| Di(Hydroxyethyl)Ether SCHEMBL28644148 | 0.87 | LCK (0.56) | LCKFYNCYP1A2PLA2G2ACYP2C19 | |
| Di(Hydroxyethyl)Ether SCHEMBL27820525 | 0.87 | LCK (0.56) | LCKFYNCYP1A2PLA2G2ACYP2C19 | |
| Tetrabuthylammonium SCHEMBL28638749 | 0.85 | LCK (0.50) | LCKFYNCYP1A2PLA2G2AS1PR3 | |
| Tetramethylammonium Ion SCHEMBL2776353 | 0.85 | LCK (0.83) | LCKFYNCYP1A2CYP2C19TDP1 | |
| Di(Hydroxyethyl)Ether SCHEMBL28641711 | 0.85 | LCK (0.53) | LCKFYNCYP1A2CYP2C19S1PR3 | |
| SCHEMBL8083912 | 0.84 | LCK (0.56) | LCKFYNCYP1A2CYP2C19TDP1 | |
| Terephthalic Acid SCHEMBL10553791 | 0.84 | LCK (0.56) | LCKFYNCYP2C19S1PR3ALDH1A1 |
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-112831042-A | Antistatic polyester composition, preparation method thereof and polyester film | 东丽纤维研究所（中国）有限公司 | 2021-05-25 | — | — | CN | disclosed |