Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 3/20 | 0.37 |
| ▸ | CTSD | P07339 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 3/20 | 0.36 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.34 |
| ▸ | HTR2B | P41595 | 3/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.32 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6024969 | 1.00 | BACE1 (0.37) | BACE1CTSDKDM1AKDM1BCNR1 | |
| SCHEMBL6025054 | 1.00 | BACE1 (0.37) | BACE1CTSDKDM1AKDM1BCNR1 | |
| SCHEMBL8778940 | 0.88 | CNR1 (0.37) | BACE1CTSDCNR1CNR2TRPV1 | |
| SCHEMBL15086547 | 0.87 | TRPV1 (0.41) | BACE1CTSDKDM1AKDM1BCNR1 | |
| SCHEMBL3574214 | 0.87 | TRPV1 (0.41) | BACE1CTSDKDM1AKDM1BCNR1 | |
| Hydrochloric Acid SCHEMBL6559622 | 0.87 | CNR1 (0.37) | BACE1CTSDKDM1ACNR1CNR2 | |
| Hydrochloric Acid SCHEMBL23362822 | 0.86 | TRPV1 (0.40) | BACE1CTSDKDM1AKDM1BCNR1 | |
| SCHEMBL7479500 | 0.82 | HTR2C (0.42) | CNR1CNR2HTR2BAKR1B1LMNA | |
| SCHEMBL2177831 | 0.81 | KDM1A (0.35) | KDM1AKDM1BTRPV1HTR2BPBRM1 | |
| SCHEMBL3322619 | 0.81 | TRPV1 (0.41) | KDM1AKDM1BTRPV1AKR1B1 |
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-114641477-A | Novel compound having inhibitory activity against glucose ceramide synthase or pharmaceutically acceptable salt thereof, method for preparing same, and pharmaceutical composition comprising same | 柳韩洋行 | 2022-06-17 | — | — | CN | disclosed |