Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 1/20 | 0.56 |
| ▸ | FYN | P06241 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 6/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | RARB | P10826 | 2/20 | 0.30 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.30 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.30 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.30 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.30 |
| ▸ | UGT1A7 | Q9HAW7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Tetrylammonium SCHEMBL28646752 | 0.92 | LCK (0.47) | LCKFYNCYP1A2S1PR3CYP2C19 | |
| Di(Hydroxyethyl)Ether SCHEMBL28645732 | 0.90 | LCK (0.48) | LCKFYNCYP1A2S1PR3PLA2G2A | |
| Di(Hydroxyethyl)Ether SCHEMBL28657294 | 0.90 | LCK (0.61) | LCKFYNCYP1A2S1PR3CYP2C19 | |
| Di(Hydroxyethyl)Ether SCHEMBL28300360 | 0.90 | LCK (0.69) | LCKFYNCYP1A2S1PR3CYP2C19 | |
| Tetrylammonium SCHEMBL2777414 | 0.88 | LCK (0.71) | LCKFYNCYP1A2S1PR3CYP2C19 | |
| Di(Hydroxyethyl)Ether SCHEMBL28649472 | 0.87 | LCK (0.61) | LCKFYNCYP1A2S1PR3CYP2C19 | |
| Tetrabuthylammonium SCHEMBL28638749 | 0.87 | LCK (0.50) | LCKFYNCYP1A2S1PR3PLA2G2A | |
| Di(Hydroxyethyl)Ether SCHEMBL28644148 | 0.86 | LCK (0.56) | LCKFYNCYP1A2S1PR3CYP2C19 | |
| SCHEMBL28645731 | 0.83 | LCK (0.41) | LCKFYNS1PR3 | |
| Di(Hydroxyethyl)Ether SCHEMBL27820525 | 0.83 | LCK (0.56) | LCKFYNCYP1A2S1PR3CYP2C19 |
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 |