Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA7 | P43166 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.45 |
| ▸ | XDH | P47989 | 1/20 | 0.45 |
| ▸ | ELANE | P08246 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.41 |
| ▸ | MAPT | P10636 | 6/20 | 0.41 |
| ▸ | HPGD | P15428 | 5/20 | 0.41 |
| ▸ | GLA | P06280 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL27279304 | 0.85 | CA1 (0.55) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3632067 | 0.84 | CA1 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4235293 | 0.84 | CA1 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10946816 | 0.79 | CA1 (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL12419937 | 0.79 | PPARG (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL14544621 | 0.77 | CA1 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL13904908 | 0.77 | CA1 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6617704 | 0.76 | MAPT (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL23705054 | 0.75 | CA1 (0.45) | CA12CA1CA2CA7CA9 | |
| SCHEMBL12693538 | 0.75 | KDM4E (0.66) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2014121695-A1 | NOVEL XANTHINE OXIDASE INHIBITOR COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF | 镇江新元素医药科技有限公司 (CN) | 2014-08-14 | — | — | WO | disclosed |