Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.74 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | ESR1 | P03372 | 2/20 | 0.50 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.50 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.50 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.50 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.49 |
| ▸ | CNR1 | P21554 | 1/20 | 0.47 |
| ▸ | CNR2 | P34972 | 1/20 | 0.47 |
| ▸ | MMP1 | P03956 | 1/20 | 0.47 |
| ▸ | MMP9 | P14780 | 1/20 | 0.47 |
| ▸ | MMP12 | P39900 | 1/20 | 0.47 |
| ▸ | FAAH | O00519 | 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 | |
|---|---|---|---|---|
| SCHEMBL1062838 | 0.85 | KDM4E (1.00) | KDM4EALDH1A1PKM | |
| SCHEMBL11380307 | 0.76 | NR1H2 (0.64) | ALDH1A1ESR1AKR1C4AKR1C3AKR1C2 | |
| SCHEMBL13743871 | 0.76 | KDM4E (0.71) | KDM4EALDH1A1PKM | |
| SCHEMBL28838226 | 0.75 | CYP3A4 (0.71) | ALDH1A1ESR1AKR1C4AKR1C3AKR1C2 | |
| SCHEMBL6026715 | 0.75 | ELANE (0.63) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL9316165 | 0.73 | KDM4E (0.55) | KDM4EALDH1A1PKMGPR84 | |
| SCHEMBL11004453 | 0.73 | TSHR (0.62) | KDM4EALDH1A1ESR1AKR1C4AKR1C3 | |
| SCHEMBL1061682 | 0.71 | KDM4E (0.68) | KDM4EALDH1A1PKM | |
| SCHEMBL14452075 | 0.71 | ALDH1A1 (0.65) | KDM4EALDH1A1ESR1AKR1C4AKR1C3 | |
| SCHEMBL679558 | 0.71 | ALDH1A1 (1.00) | KDM4EALDH1A1 |
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 |