Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 7/20 | 0.49 |
| ▸ | CA2 | P00918 | 7/20 | 0.49 |
| ▸ | CA9 | Q16790 | 6/20 | 0.49 |
| ▸ | CA12 | O43570 | 4/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.49 |
| ▸ | CA4 | P22748 | 2/20 | 0.49 |
| ▸ | CA6 | P23280 | 1/20 | 0.49 |
| ▸ | CA5A | P35218 | 1/20 | 0.49 |
| ▸ | CA7 | P43166 | 1/20 | 0.49 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | HTR6 | P50406 | 3/20 | 0.42 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.42 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.42 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.42 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.42 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27827989 | 0.95 | CA1 (0.53) | CA1CA2CA9CA12CA14 | |
| SCHEMBL28262453 | 0.89 | CA1 (0.53) | CA1CA2CA9CA12CA14 | |
| SCHEMBL28419481 | 0.81 | L3MBTL1 (0.43) | CA1CA2CA9CA12CA14 | |
| SCHEMBL28262452 | 0.79 | MMP2 (0.44) | CA1CA2CA9CA4CA7 | |
| SCHEMBL8526619 | 0.79 | CA2 (0.52) | CA2MAPTKDM4EABCC9ABCC8 | |
| SCHEMBL28164 | 0.76 | GAA (0.61) | CA1CA2CA9CA12HTR6 | |
| SCHEMBL29381324 | 0.76 | GAA (0.61) | CA1CA2CA9CA12HTR6 | |
| SCHEMBL28299082 | 0.76 | HSD11B1 (0.51) | CA1CA2CA9CA12CA14 | |
| SCHEMBL29709995 | 0.75 | POLB (0.66) | CA1CA2CA9CA12CA14 | |
| SCHEMBL312517 | 0.75 | POLB (0.66) | CA1CA2CA9CA12CA14 |
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-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 |