Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4F2 | P78329 | 2/20 | 0.56 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.50 |
| ▸ | TOP2A | P11388 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | TBXAS1 | P24557 | 3/20 | 0.47 |
| ▸ | LTA4H | P09960 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | NAMPT | P43490 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.46 |
| ▸ | KYAT1 | Q16773 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL28096369 | 0.95 | CYP4F2 (0.61) | CYP4F2CYP4A11ALDH1A1SMN1; SMN2ALOX5 | |
| Toluene SCHEMBL242077 | 0.89 | SMN1; SMN2 (0.57) | CYP4F2CYP4A11ALDH1A1SMN1; SMN2ALOX5 | |
| Toluene SCHEMBL28845143 | 0.88 | CYP4F2 (0.55) | CYP4F2CYP4A11ALDH1A1SMN1; SMN2ALOX5 | |
| Toluene SCHEMBL28150255 | 0.88 | CYP4F2 (0.55) | CYP4F2CYP4A11ALDH1A1SMN1; SMN2ALOX5 | |
| Toluene SCHEMBL4749551 | 0.88 | CYP4F2 (0.55) | CYP4F2CYP4A11ALDH1A1SMN1; SMN2ALOX5 | |
| Toluene SCHEMBL6270207 | 0.88 | CYP4F2 (0.55) | CYP4F2CYP4A11ALDH1A1SMN1; SMN2ALOX5 | |
| Toluene SCHEMBL10779605 | 0.87 | CYP4F2 (0.57) | CYP4F2CYP4A11ALDH1A1SMN1; SMN2ALOX5 | |
| Toluene SCHEMBL1233802 | 0.86 | CYP4F2 (0.56) | CYP4F2CYP4A11ALDH1A1SMN1; SMN2ALOX5 | |
| Toluene SCHEMBL27707297 | 0.85 | L3MBTL1 (0.46) | CYP4F2CYP4A11ALDH1A1LTA4H | |
| Phthalic Acid SCHEMBL27662414 | 0.85 | CYP4F2 (0.52) | CYP4F2CYP4A11ALDH1A1SMN1; SMN2ALOX5 |
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-117430507-A | Selective synthesis method of adipic acid monoethyl ester | 山东阳谷华泰化工股份有限公司 | 2024-01-23 | — | — | CN | disclosed |
| CN-107043327-B | Synthesis method of monoethyl adipate | 苏州富士莱医药股份有限公司 | 2020-11-03 | — | — | CN | disclosed |