Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | IKBKB | O14920 | 2/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.42 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.38 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 3/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28532686 | 0.82 | HDAC1 (0.48) | NPC1RAB9AKDM4EGFERTP53 | |
| SCHEMBL28529435 | 0.82 | CYP11B1 (0.49) | NPC1RAB9AKDM4EGFERTP53 | |
| SCHEMBL28543271 | 0.80 | NPC1 (0.54) | NPC1RAB9AKDM4EIKBKBNOTUM | |
| SCHEMBL28547187 | 0.73 | CA1 (0.45) | NPC1RAB9AKDM4ENOTUMGFER | |
| SCHEMBL22147197 | 0.71 | IKBKB (0.43) | NPC1RAB9AKDM4EIKBKBNOTUM | |
| SCHEMBL28540540 | 0.70 | RAB9A (0.46) | NPC1RAB9AKDM4EIKBKBNOTUM | |
| SCHEMBL28532802 | 0.69 | CYP11B1 (0.48) | NPC1RAB9AKDM4EGFERTP53 | |
| Alcohol SCHEMBL27698759 | 0.69 | KDM4E (0.44) | NPC1RAB9AKDM4EIKBKBNOTUM | |
| SCHEMBL20462614 | 0.67 | ALDH1A1 (0.37) | NPC1RAB9AKDM4EDGAT1POLB | |
| SCHEMBL2376809 | 0.67 | ALDH1A1 (0.47) | NR1H4TP53TSHR |
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-112538058-B | Preparation method of oxazole-containing cyclic sulfone compound | 温州大学新材料与产业技术研究院 | 2022-05-27 | — | — | CN | disclosed |
| CN-112538058-A | Preparation method of oxazole-containing cyclic sulfone compound | 温州大学新材料与产业技术研究院 | 2021-03-23 | — | — | CN | disclosed |