Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4A | O75164 | 1/20 | 0.63 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.63 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 5/20 | 0.60 |
| ▸ | LMNA | P02545 | 2/20 | 0.60 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.60 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.60 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.60 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.54 |
| ▸ | PPARG | P37231 | 7/20 | 0.54 |
| ▸ | PPARD | Q03181 | 7/20 | 0.54 |
| ▸ | PPARA | Q07869 | 7/20 | 0.54 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.54 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | TLR2 | O60603 | 2/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | FABP4 | P15090 | 2/20 | 0.54 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.54 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL889830 | 1.00 | KDM4A (0.63) | KDM4AKDM4CADRA1ATSHRLMNA | |
| SCHEMBL8389930 | 1.00 | KDM4A (0.63) | KDM4AKDM4CADRA1ATSHRLMNA | |
| SCHEMBL5050892 | 1.00 | KDM4A (0.63) | KDM4AKDM4CADRA1ATSHRLMNA | |
| SCHEMBL8039895 | 1.00 | KDM4A (0.63) | KDM4AKDM4CADRA1ATSHRLMNA | |
| SCHEMBL6047707 | 1.00 | KDM4A (0.63) | KDM4AKDM4CADRA1ATSHRLMNA | |
| SCHEMBL10145513 | 1.00 | KDM4A (0.63) | KDM4AKDM4CADRA1ATSHRLMNA | |
| SCHEMBL17942985 | 1.00 | KDM4A (0.63) | KDM4AKDM4CADRA1ATSHRLMNA | |
| Hydrochloric Acid SCHEMBL3484697 | 0.98 | KDM4A (0.67) | KDM4AKDM4CADRA1ATSHRLMNA | |
| Hydrochloric Acid SCHEMBL4405208 | 0.98 | KDM4A (0.67) | KDM4AKDM4CADRA1ATSHRLMNA | |
| SCHEMBL693740 | 0.97 | — | — |
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-101663284-A | Macrocyclic compounds as hcv ns3 protease inhibitors | NOVARTIS AG | 2010-03-03 | — | — | CN | disclosed |