Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P4HB | P07237 | 4/20 | 0.80 |
| ▸ | GAPDH | P04406 | 4/20 | 0.77 |
| ▸ | CES2 | O00748 | 1/20 | 0.57 |
| ▸ | CES1 | P23141 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | RECQL | P46063 | 2/20 | 0.54 |
| ▸ | MAP2K7 | O14733 | 1/20 | 0.54 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | RAF1 | P04049 | 1/20 | 0.54 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL27006527 | 1.00 | P4HB (0.80) | P4HBGAPDHCES2CES1MEN1 | |
| SCHEMBL27006533 | 0.89 | P4HB (1.00) | P4HBGAPDHCES2CES1MEN1 | |
| SCHEMBL29647627 | 0.89 | P4HB (1.00) | P4HBGAPDHCES2CES1MEN1 | |
| SCHEMBL24389222 | 0.87 | GAPDH (1.00) | P4HBGAPDHCES2CES1MEN1 | |
| SCHEMBL29647621 | 0.86 | GAPDH (0.77) | P4HBGAPDHCES2CES1MEN1 | |
| SCHEMBL27006543 | 0.86 | GAPDH (0.77) | P4HBGAPDHCES2CES1MEN1 | |
| SCHEMBL29728478 | 0.85 | GAPDH (0.66) | P4HBGAPDHMEN1KMT2AKDM4E | |
| SCHEMBL5175513 | 0.85 | GAPDH (0.66) | P4HBGAPDHMEN1KMT2AKDM4E | |
| SCHEMBL29647664 | 0.81 | BACE1 (0.73) | P4HBGAPDHMEN1KMT2AKDM4E | |
| SCHEMBL27006528 | 0.81 | BACE1 (0.73) | P4HBGAPDHMEN1KMT2AKDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4232439-A1 | 5-HYDROXY-1,4-NAPHTHALENEDIONE FOR USE IN THE TREATMENT OF CANCER | Godavari Biorefineries Ltd. (IN) | 2023-08-30 | — | — | EP | disclosed |
| CN-116670122-A | 5-hydroxy-1, 4-naphthalenediones for the treatment of cancer | 戈达瓦里生物炼制有限责任公司 | 2023-08-29 | — | — | CN | disclosed |
| WO-2022091123-A1 | 5-HYDROXY-1,4-NAPHTHALENEDIONE FOR USE IN THE TREATMENT OF CANCER | GODAVARI BIOREFINERIES LIMITED (IN) | 2022-05-05 | — | — | WO | disclosed |