Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 9/20 | 0.44 |
| ▸ | MMP12 | P39900 | 9/20 | 0.44 |
| ▸ | MMP13 | P45452 | 9/20 | 0.44 |
| ▸ | MMP14 | P50281 | 9/20 | 0.44 |
| ▸ | MMP8 | P22894 | 8/20 | 0.44 |
| ▸ | MMP16 | P51512 | 8/20 | 0.44 |
| ▸ | MMP9 | P14780 | 8/20 | 0.44 |
| ▸ | MMP1 | P03956 | 7/20 | 0.44 |
| ▸ | MMP3 | P08254 | 7/20 | 0.44 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.43 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.43 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.43 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.43 |
| ▸ | NAMPT | P43490 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL7749413 | 0.84 | MEN1 (0.47) | CA1CA2CA9CA4CA7 | |
| SCHEMBL28262453 | 0.83 | CA1 (0.53) | MMP2MMP12MMP13MMP14MMP8 | |
| SCHEMBL8526619 | 0.80 | CA2 (0.52) | ABCC9ABCC8KCNJ11KCNJ8HSD11B1 | |
| SCHEMBL28419481 | 0.79 | L3MBTL1 (0.43) | ABCC9ABCC8KCNJ11KCNJ8NAMPT | |
| SCHEMBL28263610 | 0.79 | CA1 (0.49) | MMP2MMP12MMP13MMP14MMP8 | |
| SCHEMBL28353192 | 0.78 | TSHR (0.47) | CA1CA2CA9CA4CA7 | |
| SCHEMBL313277 | 0.77 | L3MBTL1 (0.59) | ABCC9ABCC8KCNJ11KCNJ8HSD11B1 | |
| SCHEMBL29911012 | 0.77 | L3MBTL1 (0.59) | ABCC9ABCC8KCNJ11KCNJ8HSD11B1 | |
| SCHEMBL27827989 | 0.76 | CA1 (0.53) | MMP2MMP12MMP13MMP14MMP8 | |
| SCHEMBL17069270 | 0.76 | PTGS2 (0.47) | CA1CA2CA9CA4CA7 |
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-109053631-B | Synthetic method for synthesizing benzo [1,3] oxazine-2-thioketone through isothiocyanate and 2-sulfonyl alkyl phenol | 青岛科技大学 | 2020-06-09 | — | — | CN | disclosed |
| CN-109053631-A | One kind passing through the synthetic method of isothiocyanates and 2- Sulfonylalkyl phenol synthesis benzo [1,3] oxazines -2- thioketones | 青岛科技大学 | 2018-12-21 | — | — | CN | disclosed |