Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CYP1A1 | P04798 | 6/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 6/20 | 0.39 |
| ▸ | BCL2 | P10415 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA7 | P43166 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.36 |
| ▸ | CRHBP | P24387 | 1/20 | 0.35 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.34 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23555970 | 0.74 | ALDH1A1 (0.50) | ALDH1A1CYP1A1CYP1B1BCL2CYP3A4 | |
| SCHEMBL5944757 | 0.72 | BCL2 (0.41) | ALDH1A1BCL2CYP3A4CA1CA2 | |
| SCHEMBL5944582 | 0.70 | ACHE (0.39) | ALDH1A1CYP1A1CYP1B1BCL2CYP3A4 | |
| 1,3,5-Trimethoxybenzene SCHEMBL28493 | 0.69 | ALDH1A1 (1.00) | ALDH1A1CYP1A1CYP1B1CYP3A4CA1 | |
| 1,3,5-Trimethoxybenzene SCHEMBL28557531 | 0.66 | ALDH1A1 (0.92) | ALDH1A1CYP1A1CYP1B1CYP3A4CA1 | |
| 1,3,5-Trimethoxybenzene SCHEMBL28416912 | 0.66 | ALDH1A1 (0.92) | ALDH1A1CYP1A1CYP1B1CYP3A4CA1 | |
| 1,3,5-Trimethoxybenzene SCHEMBL28740008 | 0.66 | ALDH1A1 (0.92) | ALDH1A1CYP1A1CYP1B1CYP3A4CA1 | |
| SCHEMBL7235768 | 0.66 | ALDH1A1 (0.40) | ALDH1A1CYP1A1CYP1B1BCL2CYP3A4 | |
| SCHEMBL942460 | 0.66 | ALDH1A1 (0.40) | ALDH1A1CYP1A1CYP1B1BCL2CYP3A4 | |
| SCHEMBL1713073 | 0.63 | ALDH1A1 (0.50) | ALDH1A1CYP1A1CYP1B1CYP3A4CA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0104876-B1 | HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES | ICI AUSTRALIA LIMITED (AU) | 1991-12-27 | — | — | EP | disclosed |
| US-4631081-A | Herbicidal cyclohexane-1,3-dione derivatives | ICI AUSTRALIA LIMITED (AU) | 1986-12-23 | — | — | US | disclosed |
| EP-0104876-A2 | Herbicidal cyclohexane-1,3-dione derivatives | ICI AUSTRALIA LIMITED (AU) | 1984-04-04 | — | — | EP | disclosed |