Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.39 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.39 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.39 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.39 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.39 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.39 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.39 |
| ▸ | CYP4F8 | P98187 | 1/20 | 0.39 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Acetaldehyde SCHEMBL895439 | 0.80 | — | — | |
| SCHEMBL28211296 | 0.79 | DRD1 (0.43) | CYP3A4CYP2C9CYP1A1CYP1A2CYP2E1 | |
| SCHEMBL27798276 | 0.77 | MEN1 (0.46) | CYP3A4CYP2C9CYP1A1CYP1A2CYP2E1 | |
| Resorcinol SCHEMBL27922774 | 0.75 | ALDH1A1 (0.57) | CYP3A4CYP2C9CYP1A2KMT2ACA12 | |
| Isopropyl Alcohol SCHEMBL6748246 | 0.75 | MEN1 (0.50) | CYP3A4CYP2C9CYP1A1CYP1A2CYP2E1 | |
| Formic Acid SCHEMBL3169782 | 0.75 | — | — | |
| Isopropylamine SCHEMBL7096169 | 0.75 | CYP2A6 (0.44) | CYP3A4CYP2C9CYP1A1CYP1A2CYP2E1 | |
| Propionaldehyde SCHEMBL7564236 | 0.74 | ALDH1A1 (0.47) | CYP3A4CYP2C9CYP1A1CYP1A2CYP2E1 | |
| Benzene SCHEMBL7595658 | 0.73 | MEN1 (0.32) | CYP2A6MEN1KMT2A | |
| Ethane SCHEMBL28709478 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0908439-B1 | Use of substituted 5-phenyl-pentanols as flavour and perfume | HAARMANN & REIMER GMBH (DE) | 2003-01-02 | — | — | EP | claimed |
| US-4110404-A | Hydrocarbonylation | CELANESE CORPORATION (US) | 1978-08-29 | — | — | US | disclosed |