Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.54 |
| ▸ | CA1 | P00915 | 2/20 | 0.54 |
| ▸ | CA2 | P00918 | 2/20 | 0.54 |
| ▸ | CA9 | Q16790 | 2/20 | 0.54 |
| ▸ | ATR | Q13535 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.46 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.46 |
| ▸ | CFB | P00751 | 6/20 | 0.45 |
| ▸ | CHEK2 | O96017 | 3/20 | 0.44 |
| ▸ | SCD | O00767 | 1/20 | 0.43 |
| ▸ | CA3 | P07451 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA6 | P23280 | 1/20 | 0.43 |
| ▸ | CA5A | P35218 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11020313 | 0.92 | CA2 (0.54) | CA12CA1CA2CA9ATR | |
| SCHEMBL11021898 | 0.90 | ATR (0.53) | CA12CA1CA2CA9ATR | |
| SCHEMBL11021091 | 0.89 | ATR (0.48) | CA12CA1CA2CA9ATR | |
| SCHEMBL11018186 | 0.88 | CYP3A4 (0.48) | ATRPKN1PKN2CFBSCD | |
| SCHEMBL11016115 | 0.88 | CFB (0.47) | ATRALDH1A1PKN1PKN2CFB | |
| SCHEMBL11018866 | 0.88 | MAPT (0.44) | CA12CA1CA2CA9ATR | |
| SCHEMBL11018077 | 0.86 | CYP2C9 (0.54) | ATRPKN1PKN2CFBCHEK2 | |
| SCHEMBL11021561 | 0.83 | L3MBTL1 (0.47) | CA12CA1CA2CA9ATR | |
| SCHEMBL11017639 | 0.83 | MAPT (0.49) | ATRALDH1A1HPGDPKN1PKN2 | |
| SCHEMBL11021893 | 0.82 | ATR (0.44) | CA12CA1CA2CA9ATR |
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-0148431-A1 | Benzimidazoles, their preparation, and medicaments containing these compounds | Dr. Karl Thomae GmbH (DE) | 1985-07-17 | — | — | EP | disclosed |