Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | HPGD | P15428 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.42 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SIRT2 | Q8IXJ6 | 5/20 | 0.42 |
| ▸ | SIRT1 | Q96EB6 | 4/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL25825967 | 0.85 | ENPP1 (0.58) | — | |
| SCHEMBL25834113 | 0.82 | NPC1 (0.37) | NPC1RAB9AMEN1KMT2AKDM4E | |
| SCHEMBL25828164 | 0.81 | NPC1 (0.41) | NPC1RAB9AMEN1KMT2AKDM4E | |
| SCHEMBL25825966 | 0.78 | STING1 (0.55) | — | |
| SCHEMBL25828154 | 0.75 | STING1 (0.57) | — | |
| SCHEMBL25828145 | 0.74 | NPC1 (0.47) | NPC1RAB9AMEN1KMT2AKDM4E | |
| SCHEMBL25828075 | 0.72 | ENPP1 (0.42) | PTGER4 | |
| SCHEMBL1965483 | 0.70 | PTGER4 (0.57) | NPC1RAB9AMEN1KMT2AKDM4E | |
| SCHEMBL1968095 | 0.69 | NPC1 (0.47) | NPC1RAB9AMEN1KMT2AKDM4E | |
| SCHEMBL25825925 | 0.69 | ENPP1 (0.80) | — |
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-2023131333-A1 | BENZIMIDAZOLE COMPOUND AND MEDICAL USE THEREOF | 中国科学院上海药物研究所 | 2023-07-13 | — | — | WO | disclosed |