Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 4/20 | 0.53 |
| ▸ | EGFR | P00533 | 2/20 | 0.50 |
| ▸ | SRC | P12931 | 1/20 | 0.50 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.47 |
| ▸ | FEN1 | P39748 | 1/20 | 0.47 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | NQO2 | P16083 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | SLC9A1 | P19634 | 2/20 | 0.44 |
| ▸ | GPR3 | P46089 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27730322 | 0.85 | MCL1 (0.62) | HPGDEGFRSRCERCC1FEN1 | |
| SCHEMBL29618419 | 0.83 | HPGD (0.53) | HPGDERCC1FEN1ERCC4KDM4E | |
| SCHEMBL19249104 | 0.81 | KDM4E (0.53) | HPGDEGFRSRCERCC1FEN1 | |
| SCHEMBL28254849 | 0.80 | HPGD (0.38) | HPGDEGFRSRCERCC1FEN1 | |
| SCHEMBL31257225 | 0.80 | POLB (0.47) | HPGDEGFRSRCALDH1A1CYP2C19 | |
| SCHEMBL8201715 | 0.79 | SLC9A1 (0.50) | HPGDEGFRSRCKDM4EALDH1A1 | |
| SCHEMBL2323444 | 0.77 | MCL1 (0.71) | SLC9A1MCL1NPC1 | |
| SCHEMBL11186759 | 0.77 | KDM4E (0.58) | HPGDKDM4EALDH1A1HSD17B10LMNA | |
| SCHEMBL5005344 | 0.77 | SLC9A1 (0.51) | EGFRSRCKDM4EALDH1A1HSD17B10 | |
| Hydrochloric Acid SCHEMBL28264080 | 0.76 | MCL1 (0.69) | SLC9A1MCL1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115403558-A | Aromatic heterocyclic compound with antitumor activity and preparation method and application thereof | 河南真实生物科技有限公司 | 2022-11-29 | — | — | CN | disclosed |