Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDGFRB | P09619 | 5/20 | 0.46 |
| ▸ | PDGFRA | P16234 | 4/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | MET | P08581 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | BIRC5 | O15392 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.42 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.42 |
| ▸ | CSNK1G2 | P78368 | 1/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.42 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.42 |
| ▸ | MAP4K5 | Q9Y4K4 | 1/20 | 0.42 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29009137 | 1.00 | PDGFRB (0.46) | PDGFRBPDGFRACYP2A6METCYP1A2 | |
| SCHEMBL14294672 | 0.76 | CHRM2 (0.45) | NPC1MAPTRAB9AALDH1A1 | |
| SCHEMBL16264765 | 0.74 | PDGFRB (0.44) | PDGFRBPDGFRACYP2A6METCYP1A2 | |
| SCHEMBL2772360 | 0.73 | PDGFRB (0.77) | PDGFRBPDGFRACYP2A6CYP1A2BIRC5 | |
| SCHEMBL32667946 | 0.73 | PDGFRB (0.77) | PDGFRBPDGFRACYP2A6CYP1A2BIRC5 | |
| SCHEMBL13712396 | 0.71 | CYP1A2 (0.56) | PDGFRBPDGFRACYP2A6CYP1A2BIRC5 | |
| SCHEMBL19721615 | 0.71 | NPC1 (0.58) | PDGFRBPDGFRACYP2A6CYP1A2BIRC5 | |
| SCHEMBL30435200 | 0.70 | F2RL3 (0.49) | NPC1MAPTRAB9AALDH1A1 | |
| SCHEMBL29009136 | 0.70 | F2RL3 (0.49) | NPC1MAPTRAB9AALDH1A1 | |
| SCHEMBL19387101 | 0.70 | DRD2 (0.43) | PDGFRBPDGFRACYP2A6METCYP1A2 |
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-116178286-B | N (N)2Alkyl substituted triazole derivative and synthetic method and application thereof | 华东师范大学 | 2024-12-03 | — | — | CN | disclosed |
| CN-116178286-A | High-selectivity N 2 Alkyl substituted triazole derivative and synthetic method and application thereof | 华东师范大学 | 2023-05-30 | — | — | CN | disclosed |