Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.45 |
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | CA4 | P22748 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | MMP12 | P39900 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.42 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | LSS | P48449 | 1/20 | 0.42 |
| ▸ | DAO | P14920 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27713653 | 0.91 | TSHR (0.49) | CYP19A1MAPTKCNJ1KCNH2LOXL2 | |
| SCHEMBL9843900 | 0.81 | RECQL (0.58) | CYP19A1MAPTKCNJ1KCNH2LOXL2 | |
| SCHEMBL29001411 | 0.81 | CYP19A1 (0.46) | CYP19A1MAPTKCNJ1KCNH2LOXL2 | |
| Sulfuric Acid SCHEMBL27373728 | 0.81 | CA2 (0.48) | CYP19A1MAPTKCNJ1KCNH2LOXL2 | |
| SCHEMBL3742309 | 0.80 | MAPT (0.58) | CYP19A1MAPTLOXL2CA12CA1 | |
| SCHEMBL6376736 | 0.78 | MAPT (0.56) | CYP19A1MAPTLOXL2CA12CA1 | |
| Hydrochloric Acid SCHEMBL8136963 | 0.78 | MAPT (0.56) | CYP19A1MAPTLOXL2CA12CA1 | |
| SCHEMBL7982533 | 0.78 | CYP2A6 (0.52) | CYP19A1MAPTKCNJ1KCNH2LOXL2 | |
| SCHEMBL30669408 | 0.77 | CYP19A1 (0.42) | CYP19A1MAPTKCNJ1KCNH2LOXL2 | |
| SCHEMBL1004267 | 0.76 | LOXL2 (0.64) | CYP19A1KCNJ1KCNH2LOXL2CA12 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114105837-B | Synthesis and application of alkenyl sulfonyl-containing molecules | 中国科学院上海有机化学研究所 | 2023-05-12 | — | — | CN | disclosed |
| CN-114105837-A | Synthesis and application of molecules containing alkenyl sulfonyl | 中国科学院上海有机化学研究所 | 2022-03-01 | — | — | CN | disclosed |