Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.42 |
| ▸ | TNKS | O95271 | 4/20 | 0.42 |
| ▸ | TNKS2 | Q9H2K2 | 3/20 | 0.42 |
| ▸ | DHODH | Q02127 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.39 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | FGFR1 | P11362 | 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 | |
|---|---|---|---|---|
| SCHEMBL28305269 | 0.90 | PARP1 (0.45) | PARP1TNKSTNKS2RAB9ANPC1 | |
| SCHEMBL28305315 | 0.87 | PARP1 (0.49) | PARP1TNKSTNKS2RAB9ANPC1 | |
| SCHEMBL15958955 | 0.82 | PARP1 (0.47) | PARP1TNKSTNKS2DHODHRAB9A | |
| SCHEMBL696548 | 0.82 | DHODH (0.56) | PARP1TNKSTNKS2DHODHRAB9A | |
| SCHEMBL3579908 | 0.79 | PARP1 (0.61) | PARP1TNKSTNKS2DHODHRAB9A | |
| SCHEMBL697780 | 0.78 | KDM4E (0.54) | PARP1TNKSTNKS2DHODHRAB9A | |
| SCHEMBL30100385 | 0.77 | PARP1 (0.43) | PARP1TNKSTNKS2DHODHRAB9A | |
| Hydrochloric Acid SCHEMBL28121180 | 0.77 | ALDH1A1 (0.50) | PARP1TNKSTNKS2DHODHRAB9A | |
| SCHEMBL10212480 | 0.76 | KDM4E (0.55) | PARP1TNKSTNKS2DHODHRAB9A | |
| SCHEMBL5886053 | 0.75 | TNKS (0.43) | PARP1TNKSTNKS2DHODHRAB9A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110078737-A | Perfluoroalkyl substituted benzimidazole and compound of isobioquin group and preparation method thereof | 郑州大学 | 2019-08-02 | — | — | CN | claimed |
| CN-110467640-A | A kind of indoles or benzimidazole-isoquinolines condensed heterocyclic derivates preparation method | UNIV NANCHANG HANGKONG | 2019-11-19 | — | — | CN | disclosed |
| CN-110078737-A | Perfluoroalkyl substituted benzimidazole and compound of isobioquin group and preparation method thereof | 郑州大学 | 2019-08-02 | — | — | CN | disclosed |
| CN-110078737-A | Perfluoroalkyl substituted benzimidazole and compound of isobioquin group and preparation method thereof | 郑州大学 | 2019-08-02 | — | — | CN | disclosed |
| CN-110078766-A | Phosphonylation benzimidazole and compound of isobioquin group and preparation method thereof | 郑州大学 | 2019-08-02 | — | — | CN | disclosed |