Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 9/20 | 0.38 |
| ▸ | CA1 | P00915 | 8/20 | 0.38 |
| ▸ | CA9 | Q16790 | 8/20 | 0.38 |
| ▸ | CA12 | O43570 | 6/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.38 |
| ▸ | CA5A | P35218 | 5/20 | 0.38 |
| ▸ | CA3 | P07451 | 4/20 | 0.38 |
| ▸ | CA6 | P23280 | 4/20 | 0.38 |
| ▸ | CA7 | P43166 | 4/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 4/20 | 0.38 |
| ▸ | CA4 | P22748 | 3/20 | 0.38 |
| ▸ | CA13 | Q8N1Q1 | 3/20 | 0.38 |
| ▸ | CISD1 | Q9NZ45 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | NEU3 | Q9UQ49 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3955087 | 0.98 | CA2 (0.37) | CA2CA1CA9CA12CA14 | |
| SCHEMBL3955083 | 0.83 | CA2 (0.33) | CA2CA1CA9CA12CA14 | |
| SCHEMBL10789643 | 0.82 | ALDH1A1 (0.33) | HSD17B10ALDH1A1KDM4ELMNA | |
| SCHEMBL3954969 | 0.80 | CA1 (0.34) | CA2CA1CA9CA12CA14 | |
| SCHEMBL5224094 | 0.75 | NPSR1 (0.45) | PKMALDH1A1KDM4ELMNA | |
| SCHEMBL353093 | 0.73 | — | — | |
| SCHEMBL7707496 | 0.71 | CA2 (0.38) | CA2CA1CA9CA12CA14 | |
| SCHEMBL1020837 | 0.71 | — | — | |
| SCHEMBL614565 | 0.71 | — | — | |
| SCHEMBL16209016 | 0.70 | KDM4E (0.36) | CYP2C19HSD17B10ALDH1A1KDM4ELMNA |
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 |
|---|---|---|---|---|---|---|---|
| JP-2009067736-A | METHOD FOR PRODUCING DIOXAZINYL PYRAZOLE COMPOUND AND INTERMEDIATE | NISSAN CHEM IND LTD | 2009-04-02 | — | — | JP | disclosed |
| JP-2007246476-A | PREPARATION METHOD AND INTERMEDIATE OF DIOXAZINYLPYRAZOLE COMPOUND | NISSAN CHEM IND LTD | 2007-09-27 | — | — | JP | disclosed |