Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 9/20 | 0.53 |
| ▸ | ACHE | P22303 | 4/20 | 0.49 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 2/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.47 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL19970883 | 0.91 | CYP3A4 (0.56) | CHEK2KDM4EMEN1ALDH1A1CYP3A4 | |
| SCHEMBL19970882 | 0.84 | LMNA (0.56) | CHEK2ACHEKDM4EMEN1ALDH1A1 | |
| SCHEMBL19970817 | 0.82 | CYP3A4 (0.52) | CHEK2KDM4EALDH1A1CYP3A4MAPT | |
| SCHEMBL19970819 | 0.80 | CYP3A4 (0.54) | CHEK2KDM4EMEN1ALDH1A1CYP3A4 | |
| SCHEMBL19970741 | 0.78 | RUNX1 (0.61) | CHEK2ACHEDRD2HTR1AHTR2A | |
| SCHEMBL19970878 | 0.77 | LMNA (0.54) | KDM4EMEN1ALDH1A1CYP3A4MAPT | |
| SCHEMBL19970835 | 0.76 | BCHE (0.53) | CHEK2ACHEDRD2HTR1AHTR2A | |
| SCHEMBL19970816 | 0.75 | CYP3A4 (0.52) | CHEK2DRD2KDM4EMEN1ALDH1A1 | |
| SCHEMBL19970828 | 0.74 | NPBWR1 (0.64) | ACHEDRD2HTR1AHTR2AKDM4E | |
| SCHEMBL19970818 | 0.73 | LMNA (0.54) | ACHEKDM4EMEN1ALDH1A1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018050771-A1 | BENZIMIDAZOL DERIVATIVES FOR TREATING FILOVIRUS INFECTION | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2018-03-22 | — | — | WO | disclosed |