Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA4 | P22748 | 2/20 | 0.38 |
| ▸ | CA6 | P23280 | 2/20 | 0.38 |
| ▸ | CA5A | P35218 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | LOXL2 | Q9Y4K0 | 3/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.34 |
| ▸ | CA3 | P07451 | 1/20 | 0.34 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27839471 | 0.83 | CA1 (0.33) | CA1CA2CA12CA4CA6 | |
| SCHEMBL849381 | 0.83 | CSNK2A1 (0.45) | CA1CA2CA12CA4CA6 | |
| SCHEMBL27778402 | 0.79 | ABAT (0.38) | CA1CA2CA12CA4CA6 | |
| SCHEMBL27271778 | 0.75 | CSNK2A1 (0.45) | GAAPKMLOXL2CSNK2A1CSNK2A2 | |
| SCHEMBL29875339 | 0.75 | HRH3 (0.43) | CA1CA2CA12CA4CA6 | |
| SCHEMBL28958238 | 0.75 | HRH3 (0.43) | CA1CA2CA12CA4CA6 | |
| SCHEMBL28783294 | 0.75 | LOXL2 (0.39) | CA1CA2CA12CA4CA6 | |
| SCHEMBL1047304 | 0.73 | HSP90AA1 (0.46) | CA1CA2CA12CA9MAPT | |
| SCHEMBL25383151 | 0.71 | IDO1 (0.31) | — | |
| SCHEMBL13443566 | 0.71 | HRH3 (0.40) | CA1CA2CA12CA4CA6 |
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-101171230-A | Heterocyclic-substituted alkanamides useful as renin inhibitors | SPEEDEL EXPERIMENTA AG (CH) | 2008-04-30 | — | — | CN | disclosed |