Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | PDGFRB | P09619 | 4/20 | 0.42 |
| ▸ | PDGFRA | P16234 | 3/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | CSNK1G2 | P78368 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.41 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.41 |
| ▸ | MAP4K5 | Q9Y4K4 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALPL | P05186 | 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 | |
|---|---|---|---|---|
| SCHEMBL30434942 | 1.00 | CA12 (0.46) | CA12CA1CA2CA9PTGS1 | |
| SCHEMBL28229563 | 0.77 | PTGS2 (0.55) | CA12CA1CA2CA9PTGS1 | |
| SCHEMBL16264765 | 0.76 | PDGFRB (0.44) | ALDH1A1NPC1MAPTRAB9APDGFRB | |
| SCHEMBL31469512 | 0.74 | PTGS2 (0.52) | CA12CA1CA2CA9PTGS1 | |
| SCHEMBL19387101 | 0.74 | DRD2 (0.43) | ALDH1A1NPC1MAPTRAB9APDGFRB | |
| SCHEMBL18625959 | 0.73 | NAMPT (0.43) | ALDH1A1NPC1MAPTRAB9APDGFRB | |
| SCHEMBL16263160 | 0.73 | NPC1 (0.42) | ALDH1A1NPC1MAPTRAB9APDGFRB | |
| SCHEMBL31469553 | 0.72 | CHRNB2 (0.44) | CA12CA1CA2CA9PTGS1 | |
| SCHEMBL28559130 | 0.71 | CA2 (0.55) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL29710493 | 0.71 | CA2 (0.55) | CA12CA1CA2CA9ALDH1A1 |
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-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 |