Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.64 |
| ▸ | RAB9A | P51151 | 3/20 | 0.64 |
| ▸ | HPGDS | O60760 | 1/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.61 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.61 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.61 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.61 |
| ▸ | KDM5A | P29375 | 1/20 | 0.50 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.50 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.50 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL5757005 | 0.94 | HPGDS (0.62) | NPC1RAB9AHPGDSCYP3A4CYP2D6 | |
| SCHEMBL1346083 | 0.89 | HPGDS (0.77) | NPC1RAB9AHPGDSCYP3A4CYP2D6 | |
| SCHEMBL28714930 | 0.86 | HPGDS (0.64) | NPC1RAB9AHPGDSCYP3A4CYP2D6 | |
| SCHEMBL28704105 | 0.85 | HPGDS (0.63) | NPC1RAB9AHPGDSCYP3A4CYP2D6 | |
| SCHEMBL10991076 | 0.84 | HPGDS (0.62) | NPC1RAB9AHPGDSCYP3A4CYP2D6 | |
| SCHEMBL5755079 | 0.84 | NPC1 (0.60) | NPC1RAB9AHPGDSCYP3A4CYP2D6 | |
| SCHEMBL5757600 | 0.82 | NPC1 (0.61) | NPC1RAB9AKDM4CKDM5BALDH1A1 | |
| SCHEMBL5755514 | 0.81 | NPC1 (0.60) | NPC1RAB9AHPGDSCYP3A4CYP2D6 | |
| SCHEMBL5758431 | 0.79 | HPGDS (0.64) | NPC1RAB9AHPGDSCYP3A4CYP2D6 | |
| SCHEMBL21429720 | 0.79 | HPGDS (0.59) | NPC1RAB9AHPGDSCYP3A4CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114315729-B | 1-benzyl-2, 4-diaryl imidazole compound, synthetic method and application thereof in resisting tumor | 大连理工大学 | 2024-01-26 | — | — | CN | disclosed |
| CN-114315729-A | 1-benzyl-2, 4-diaryl imidazole compound, synthetic method and application thereof in tumor resistance | 大连理工大学 | 2022-04-12 | — | — | CN | disclosed |