Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 2/20 | 0.40 |
| ▸ | MDM4 | O15151 | 1/20 | 0.40 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28116659 | 0.90 | BRD4 (0.43) | CHEK2ALOX5EPHX2MAPTPARP1 | |
| SCHEMBL28116286 | 0.88 | MAPT (0.43) | CHEK2MAPTPARP1TP53BRD4 | |
| SCHEMBL8818589 | 0.82 | PARP1 (0.55) | CHEK2ALOX5EPHX2MAPTPARP1 | |
| SCHEMBL28116660 | 0.77 | PARP1 (0.40) | MAPTPARP1TP53RXFP1KDM4E | |
| SCHEMBL8814842 | 0.73 | PARP1 (0.55) | CHEK2MAPTPARP1TP53KDM4E | |
| SCHEMBL8891814 | 0.73 | PARP1 (0.57) | CHEK2MAPTPARP1TP53BRD4 | |
| SCHEMBL8818754 | 0.72 | PARP1 (0.54) | ALOX5EPHX2MAPTPARP1TP53 | |
| SCHEMBL8818832 | 0.72 | PARP1 (0.54) | CHEK2MAPTPARP1TP53MEN1 | |
| SCHEMBL17251750 | 0.72 | MAPT (0.50) | MAPTTP53BRD4KDM4EALDH1A1 | |
| SCHEMBL28116288 | 0.71 | PARP1 (0.53) | CHEK2MAPTPARP1TP53 |
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-104072425-B | Benzimidazole compound and application thereof | 大连理工大学 | 2016-12-07 | — | — | CN | disclosed |