Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CASP1 | P29466 | 2/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 3/20 | 0.37 |
| ▸ | MAOA | P21397 | 3/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL26617624 | 0.85 | CYP3A4 (0.42) | CYP3A4CASP1RECQLTP53TSHR | |
| SCHEMBL2404950 | 0.78 | DRD2 (0.41) | CYP3A4TSHRALDH1A1CA12CA2 | |
| SCHEMBL12879696 | 0.78 | PNMT (0.38) | CYP3A4TSHRALDH1A1KMT2A | |
| SCHEMBL29182302 | 0.76 | TP53 (0.40) | CYP3A4TP53TSHRALDH1A1TDP1 | |
| SCHEMBL30828031 | 0.76 | TP53 (0.40) | CYP3A4TP53TSHRALDH1A1TDP1 | |
| SCHEMBL776216 | 0.76 | TP53 (0.40) | CYP3A4TP53TSHRALDH1A1TDP1 | |
| SCHEMBL11507722 | 0.76 | TDP1 (0.35) | CYP3A4TP53TSHRALDH1A1TDP1 | |
| SCHEMBL487319 | 0.74 | CYP3A4 (0.48) | CYP3A4CASP1RECQLTP53TSHR | |
| SCHEMBL9301864 | 0.74 | CYP3A4 (0.48) | CYP3A4CASP1RECQLTP53TSHR | |
| SCHEMBL143288 | 0.73 | CYP3A4 (0.52) | CYP3A4CASP1RECQLTSHRMAOB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1626964-A2 | NEW BENZIMIDAZOLE DERIVATIVES | AstraZeneca AB (SE) | 2006-02-22 | — | — | EP | claimed |
| WO-2004100865-A2 | NEW BENZIMIDAZOLE DERIVATIVES | ASTRAZENECA AB (SE) | 2004-11-25 | — | — | WO | claimed |