Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 4/20 | 0.41 |
| ▸ | CA2 | P00918 | 4/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.41 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.41 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.41 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.41 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 2/20 | 0.41 |
| ▸ | IDH1 | O75874 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | HNF4A | P41235 | 1/20 | 0.39 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28262453 | 0.85 | CA1 (0.53) | CA1CA2CA9ABCC9ABCC8 | |
| SCHEMBL28263605 | 0.83 | L3MBTL1 (0.58) | L3MBTL1CA1CA2CA9IDH1 | |
| SCHEMBL28263610 | 0.81 | CA1 (0.49) | CA1CA2CA9ABCC9ABCC8 | |
| SCHEMBL28262452 | 0.79 | MMP2 (0.44) | CA1CA2CA9ABCC9ABCC8 | |
| SCHEMBL29911012 | 0.77 | L3MBTL1 (0.59) | L3MBTL1CA1CA2CA9ABCC9 | |
| SCHEMBL313277 | 0.77 | L3MBTL1 (0.59) | L3MBTL1CA1CA2CA9ABCC9 | |
| SCHEMBL8526619 | 0.76 | CA2 (0.52) | L3MBTL1CA2ABCC9ABCC8KCNJ11 | |
| SCHEMBL17737828 | 0.76 | IDO1 (0.49) | CA1CA2CA9TAS2R14CA12 | |
| SCHEMBL27827989 | 0.76 | CA1 (0.53) | CA1CA2CA9ABCC9ABCC8 | |
| SCHEMBL8085716 | 0.74 | CALM1 (0.55) | L3MBTL1IDH1SAE1UBA2 |
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 1 patent. 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 |