Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAALAD2 | Q9Y3Q0 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 2/20 | 0.36 |
| ▸ | CTH | P32929 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.33 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.32 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13090823 | 0.83 | — | — | |
| SCHEMBL16509726 | 0.83 | — | — | |
| SCHEMBL18945312 | 0.78 | NAALAD2 (0.36) | NAALAD2USP2CTHCYP1A2DDAH1 | |
| SCHEMBL22844129 | 0.77 | NAALAD2 (0.36) | NAALAD2CYP1A2 | |
| SCHEMBL21579374 | 0.77 | — | — | |
| SCHEMBL21305209 | 0.75 | NAALAD2 (0.34) | NAALAD2CYP1A2 | |
| SCHEMBL18945383 | 0.75 | USP2 (0.41) | NAALAD2USP2CTHCYP1A2PLA2G2C | |
| SCHEMBL22957030 | 0.73 | GRN (0.43) | NAALAD2CYP1A2TP53NPC1RAB9A | |
| SCHEMBL20674028 | 0.73 | CYP1A2 (0.33) | NAALAD2CYP1A2DDAH1 | |
| SCHEMBL16380129 | 0.73 | USP2 (0.33) | NAALAD2USP2CTHCYP1A2PLA2G2C |
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 |
|---|---|---|---|---|---|---|---|
| EP-3831839-A2 | C-3 AND C-17 MODIFIED TRITERPENOIDS AS HIV-1 INHIBITORS | ViiV Healthcare UK (No.5) Limited (GB) | 2021-06-09 | — | — | EP | disclosed |