Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | CA7 | P43166 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7056347 | 0.82 | SMN1; SMN2 (0.42) | CA1CA2CA7CA9CA12 | |
| SCHEMBL12656573 | 0.81 | CA1 (0.48) | CA1CA2CA7CA9CA12 | |
| SCHEMBL11319675 | 0.81 | CA1 (0.48) | CA1CA2CA7CA9CA12 | |
| SCHEMBL7050103 | 0.78 | IRAK4 (0.41) | CA1CA2CA7CA9ALDH1A1 | |
| SCHEMBL8429705 | 0.78 | ALDH1A1 (0.47) | ALDH1A1TDP1L3MBTL1CYP1A2MAPT | |
| SCHEMBL943297 | 0.77 | CA1 (0.60) | CA1CA2CA7CA9CA12 | |
| SCHEMBL4644640 | 0.77 | CA1 (0.60) | CA1CA2CA7CA9CA12 | |
| SCHEMBL31345525 | 0.77 | CA1 (0.60) | CA1CA2CA7CA9CA12 | |
| SCHEMBL7053852 | 0.76 | KDM4E (0.31) | — | |
| SCHEMBL9112871 | 0.76 | CA1 (0.46) | CA1CA2CA7CA9CA12 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1304325-A1 | 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-04-23 | — | — | EP | disclosed |