Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 2/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.31 |
| ▸ | SHBG | P04278 | 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 | |
|---|---|---|---|---|
| SCHEMBL7086827 | 0.76 | SCN4A (0.41) | CA1CA2CYP1A2CYP2C9 | |
| SCHEMBL6361414 | 0.75 | CA1 (0.50) | CA1CA2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7037851 | 0.73 | TP53 (0.47) | — | |
| Hydroquinone SCHEMBL7086848 | 0.72 | CA2 (0.36) | CA1CA2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7088165 | 0.72 | CA1 (0.42) | CA1CA2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7089768 | 0.72 | ESR1 (0.44) | ESR1ESR2 | |
| SCHEMBL220910 | 0.71 | CA1 (1.00) | CA1CA2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL22804025 | 0.71 | CA1 (1.00) | CA1CA2CYP1A2CYP2C9CYP2C19 | |
| Resorcinol SCHEMBL7089771 | 0.70 | CYP3A4 (0.46) | CA1CA2CYP1A2CYP2C9 | |
| SCHEMBL7088386 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030149219-A1 | Process for manufacturing a hydroxyester derivative intermediate and epoxy resins prepared therefrom | BORIACK CLINTON J (US) | 2003-08-07 | — | — | US | claimed |
| US-6534621-B2 | Epoxidizing an alpha-halohydrin intermediate produced from an in situ halide substitution-deesterification of an alpha-hydroxy ester derivative | DOW GLOBAL TECHNOLOGIES INC. | 2003-03-18 | — | — | US | claimed |
| US-20020045707-A1 | Process for manufacturing a hydroxyester derivative intermediate and epoxy resins prepared therefrom | DOW GLOBAL TECHNOLOGIES INC. | 2002-04-18 | — | — | US | claimed |