Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 6/20 | 0.36 |
| ▸ | PPARA | Q07869 | 6/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL8847332 | 0.84 | SIGMAR1 (0.41) | POLBL3MBTL1ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL11538615 | 0.80 | MMP2 (0.39) | POLBL3MBTL1ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL29366029 | 0.77 | POLB (0.42) | POLBL3MBTL1P2RX3PPARGPPARA | |
| SCHEMBL18359541 | 0.73 | PTGES2 (0.40) | L3MBTL1ALDH1A1LMNASMN1; SMN2CA1 | |
| SCHEMBL23647523 | 0.73 | POLB (0.45) | POLBL3MBTL1P2RX3PPARGPPARA | |
| SCHEMBL2541787 | 0.69 | AOC3 (0.45) | LMNASMN1; SMN2GAA | |
| SCHEMBL5157835 | 0.69 | AOC3 (0.45) | LMNASMN1; SMN2GAA | |
| SCHEMBL10791936 | 0.69 | ACACB (0.38) | POLBALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL5157831 | 0.69 | AOC3 (0.45) | LMNASMN1; SMN2GAA | |
| SCHEMBL28680849 | 0.69 | CA1 (0.38) | ALDH1A1LMNASMN1; SMN2CA1CA2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113979907-A | Cyclohexane-1, 3-dione compound and application thereof | 郑州恒诚仪器耗材有限公司 | 2022-01-28 | — | — | CN | disclosed |
| CN-111205208-B | Cyclohexane-1, 3-diketone compound and synthetic method and application thereof | 郑州恒诚仪器耗材有限公司 | 2021-12-17 | — | — | CN | disclosed |
| WO-2021143617-A1 | CYCLOHEXADIENE OXIME ETHER COMPOUND, SYNTHESIS METHOD THEREFOR AND APPLICATION THEREOF | 郑州手性药物研究院有限公司 | 2021-07-22 | — | — | WO | disclosed |
| CN-111205208-A | Cyclohexane-1, 3-diketone compound and synthetic method and application thereof | 郑州手性药物研究院有限公司 | 2020-05-29 | — | — | CN | disclosed |