Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.95 |
| ▸ | CA1 | P00915 | 1/20 | 0.95 |
| ▸ | CA2 | P00918 | 1/20 | 0.95 |
| ▸ | CA7 | P43166 | 1/20 | 0.95 |
| ▸ | CA9 | Q16790 | 1/20 | 0.95 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.95 |
| ▸ | PPARA | Q07869 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | FABP4 | P15090 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | EDNRA | P25101 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| 2,6-Dimethoxybenzoic Acid SCHEMBL149926 | 0.98 | CA12 (1.00) | CA12CA1CA2CA7CA9 | |
| 2,6-Dimethoxybenzoic Acid SCHEMBL10830715 | 0.95 | CA12 (0.95) | CA12CA1CA2CA7CA9 | |
| 2,6-Dimethoxybenzoic Acid SCHEMBL7867072 | 0.95 | CA12 (0.95) | CA12CA1CA2CA7CA9 | |
| 2,6-Dimethoxybenzoic Acid SCHEMBL28906099 | 0.95 | CA12 (0.95) | CA12CA1CA2CA7CA9 | |
| 2,6-Dimethoxybenzoic Acid SCHEMBL11457745 | 0.95 | CA12 (0.95) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1805910 | 0.87 | CA12 (0.80) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9394952 | 0.86 | CA12 (0.78) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29547019 | 0.85 | CA12 (0.77) | CA12CA1CA2CA7CA9 | |
| SCHEMBL383873 | 0.85 | CA12 (0.77) | CA12CA1CA2CA7CA9 | |
| SCHEMBL426616 | 0.85 | CA12 (0.77) | CA12CA1CA2CA7CA9 |
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-108779067-A | The preparation method of sulfoxide derivant | 组合化学工业株式会社 | 2018-11-09 | — | — | CN | disclosed |