Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9900904 | 0.81 | CA1 (0.35) | CA1CA2 | |
| SCHEMBL15383509 | 0.78 | KDM4E (0.42) | CA1CA2KDM4EGAAL3MBTL1 | |
| SCHEMBL29506171 | 0.73 | CA1 (0.34) | CA1CA2 | |
| SCHEMBL21856234 | 0.73 | CA1 (0.34) | CA1CA2 | |
| SCHEMBL31353293 | 0.72 | CA1 (0.34) | CA1CA2 | |
| SCHEMBL32679780 | 0.72 | NQO2 (0.42) | CA1CA2 | |
| SCHEMBL32679790 | 0.72 | CA1 (0.34) | CA1CA2 | |
| SCHEMBL31353158 | 0.72 | NQO2 (0.42) | CA1CA2 | |
| SCHEMBL22445310 | 0.71 | CCR4 (0.33) | CA1CA2 | |
| SCHEMBL10211629 | 0.71 | TDP1 (0.46) | KDM4EGAAL3MBTL1 |
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-2012076966-A1 | SUBSTITUTED THIENO [3,4-B] PYRAZINE COMPOUNDS | LUPIN LIMITED (IN) | 2012-06-14 | — | — | WO | disclosed |