Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | CHEK2 | O96017 | 6/20 | 0.59 |
| ▸ | NPBWR1 | P48145 | 2/20 | 0.57 |
| ▸ | DGAT1 | O75907 | 3/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.54 |
| ▸ | PARP1 | P09874 | 1/20 | 0.54 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL19982567 | 0.87 | KDM4E (0.62) | CYP1A2CYP3A4CYP2C9CYP2C19CHEK2 | |
| SCHEMBL18229484 | 0.86 | HDAC6 (0.71) | CHEK2HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL19982678 | 0.82 | CHEK2 (0.74) | CHEK2NPBWR1MEN1KMT2AHDAC3 | |
| SCHEMBL2649653 | 0.81 | HDAC6 (0.76) | CHEK2NPBWR1MEN1KMT2AKDM4E | |
| SCHEMBL6450749 | 0.79 | NPBWR1 (0.71) | CHEK2NPBWR1HDAC3HDAC1HDAC2 | |
| SCHEMBL3198884 | 0.79 | MEN1 (0.74) | CYP1A2CYP3A4CYP2C9CYP2C19NPBWR1 | |
| SCHEMBL19970876 | 0.78 | NPBWR1 (0.60) | CYP1A2CYP3A4CYP2C9CYP2C19CHEK2 | |
| SCHEMBL21705326 | 0.78 | NPBWR1 (0.67) | CYP1A2CYP3A4CYP2C9CYP2C19NPBWR1 | |
| SCHEMBL30011485 | 0.78 | NPBWR1 (0.67) | CYP1A2CYP3A4CYP2C9CYP2C19NPBWR1 | |
| SCHEMBL18229526 | 0.77 | HDAC6 (0.70) | CHEK2HDAC3HDAC1HDAC2HDAC8 |
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-3296297-A1 | BENZIMIDAZOL DERIVATIVES FOR TREATING FILOVIRUS INFECTION | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2018-03-21 | — | — | EP | disclosed |