Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA4 | P22748 | 2/20 | 0.43 |
| ▸ | CA5A | P35218 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 3/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.39 |
| ▸ | CFTR | P13569 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 4/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17307997 | 0.74 | HSP90AA1 (0.38) | CA2CA4CA5AHSP90AA1TSHR | |
| SCHEMBL3140190 | 0.71 | HSP90AA1 (0.39) | CA2CA4CA5AHSP90AA1TSHR | |
| SCHEMBL306807 | 0.71 | TSHR (0.41) | CA2CA4CA5AHSP90AA1TSHR | |
| SCHEMBL868072 | 0.71 | HSP90AA1 (0.39) | CA2CA4CA5AHSP90AA1TSHR | |
| SCHEMBL688290 | 0.71 | HSP90AA1 (0.43) | CA2CA4CA5AHSP90AA1TSHR | |
| SCHEMBL7633171 | 0.71 | HSP90AA1 (0.39) | CA2CA4CA5AHSP90AA1TSHR | |
| SCHEMBL10176540 | 0.71 | HSP90AA1 (0.39) | CA2CA4CA5AHSP90AA1TSHR | |
| SCHEMBL6397176 | 0.71 | HSP90AA1 (0.43) | CA2CA4CA5AHSP90AA1TSHR | |
| SCHEMBL23757992 | 0.70 | HSP90AA1 (0.48) | CA2CA4CA5AHSP90AA1TSHR | |
| SCHEMBL814 | 0.70 | HSP90AA1 (0.59) | CA2CA4CA5AHSP90AA1TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE43343-E1 | Inhibitors of histone deacetylase | METHYLGENE INC. (CA) | 2012-05-01 | — | — | US | disclosed |
| EP-1963304-A1 | ISOQUINOLINE DERIVATIVES | N.V. Organon (NL) | 2008-09-03 | — | — | EP | disclosed |
| WO-2007065916-A1 | ISOQUINOLINE DERIVATIVES | N.V. ORGANON (NL) | 2007-06-14 | — | — | WO | disclosed |