Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT1 | Q96EB6 | 3/20 | 0.47 |
| ▸ | HEXA | P06865 | 7/20 | 0.47 |
| ▸ | HEXB | P07686 | 7/20 | 0.47 |
| ▸ | OGA | O60502 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
| ▸ | AHR | P35869 | 1/20 | 0.43 |
| ▸ | RAD52 | P43351 | 1/20 | 0.43 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22181861 | 0.88 | SIRT1 (0.53) | SIRT1HEXAHEXBOGAPOLB | |
| SCHEMBL22182117 | 0.87 | SIRT1 (0.50) | SIRT1HEXAHEXBOGAPOLB | |
| SCHEMBL22182085 | 0.83 | SIRT1 (0.47) | SIRT1HEXAHEXBOGAPOLB | |
| SCHEMBL22181894 | 0.83 | SIRT1 (0.53) | SIRT1HEXAHEXBOGAPOLB | |
| SCHEMBL22181892 | 0.83 | SIRT1 (0.51) | SIRT1HEXAHEXBOGAPOLB | |
| SCHEMBL22181854 | 0.83 | SIRT1 (0.57) | SIRT1HEXAHEXBOGAPOLB | |
| SCHEMBL22181889 | 0.82 | LPAR2 (0.52) | SIRT1HEXAHEXBALDH1A1HPGD | |
| SCHEMBL22182115 | 0.82 | SIRT1 (0.49) | SIRT1HEXAHEXBOGAPOLB | |
| SCHEMBL22181859 | 0.81 | HEXA (0.63) | SIRT1HEXAHEXBOGAPOLB | |
| SCHEMBL22181917 | 0.81 | SIRT1 (0.57) | SIRT1HEXAHEXBOGAPOLB |
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-2020139291-A1 | NAPHTHALIMIDE DERIVATIVES AS ANTI-PARASITIC AGENTS FOR THE TREATMENT OF LEISHMANIASIS AS WELL AS VIRAL, BACTERIAL AND NEOPLASTIC DISEASES | ISTANBUL MEDIPOL UNIVERSITESI (TR) | 2020-07-02 | — | — | WO | disclosed |