Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 12/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.40 |
| ▸ | METAP2 | P50579 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28230416 | 0.82 | PTGS2 (0.56) | PTGS2NPC1RAB9ACA12CA1 | |
| SCHEMBL28459879 | 0.81 | PTGS2 (0.57) | PTGS2RAB9AKDM4EALDH1A1CA12 | |
| SCHEMBL31469512 | 0.81 | PTGS2 (0.52) | PTGS2NPC1RAB9AALDH1A1CA12 | |
| SCHEMBL28229596 | 0.81 | PTGS2 (0.41) | PTGS2NPC1MAPTRAB9AKDM4E | |
| SCHEMBL28451943 | 0.81 | PTGS2 (0.57) | PTGS2NPC1MAPTRAB9AKDM4E | |
| SCHEMBL28229563 | 0.80 | PTGS2 (0.55) | PTGS2NPC1RAB9ACA12CA1 | |
| SCHEMBL29009126 | 0.78 | NR1H4 (0.50) | PTGS2S1PR1NPC1RAB9AKDM4E | |
| SCHEMBL28229558 | 0.78 | PTGS2 (0.59) | PTGS2NPC1RAB9ACA1CA2 | |
| SCHEMBL28579525 | 0.77 | PTGS2 (0.60) | PTGS2CA12CA9PTGS1LMNA | |
| SCHEMBL22185240 | 0.75 | NPC1 (0.46) | PTGS2S1PR1NPC1MAPTRAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119490463-A | Beta-triazole derivative and synthetic method and application thereof | 华东师范大学 | 2025-02-21 | — | — | CN | disclosed |
| 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 |