Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 3/20 | 0.48 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.48 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.48 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.43 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.43 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.43 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28096009 | 0.88 | PDE4A (0.51) | PDE4APDE4BPDE4CPDE4DMAPT | |
| SCHEMBL28096083 | 0.78 | MAPT (0.49) | PDE4APDE4BPDE4CPDE4DMAPT | |
| SCHEMBL28095604 | 0.78 | AMY1A (0.46) | MAPTS1PR1NPC1RAB9AKDM4E | |
| SCHEMBL28075584 | 0.78 | KDM4E (0.48) | TSHRKDM4EHSD17B10ALDH1A1GAA | |
| SCHEMBL28833481 | 0.78 | AMY1A (0.46) | MAPTNPC1RAB9AKDM4EHSD17B10 | |
| SCHEMBL28106648 | 0.77 | AMY1A (0.43) | S1PR1TSHRNPC1RAB9AKDM4E | |
| SCHEMBL28106612 | 0.76 | AMY1A (0.46) | MAPTKDM4ENR1H2NR1H3 | |
| SCHEMBL28835288 | 0.76 | ADORA2A (0.47) | PDE4BMAPTTSHRNPC1RAB9A | |
| SCHEMBL28106611 | 0.76 | ATAD2 (0.56) | MAPTTSHRNPC1RAB9AKDM4E | |
| Hydrochloric Acid SCHEMBL6581075 | 0.75 | ADORA2A (0.58) | PDE4APDE4BPDE4CPDE4DMAPK1 |
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-106243130-A | 3,6 diaryl [1,2,4] triazole also [3,4 b] [1,3,4] diazthines compound and application thereof | 沈阳药科大学 | 2016-12-21 | — | — | CN | claimed |
| CN-106243130-B | 3,6- diaryl-[1,2,4] triazole simultaneously [3,4-b] [1,3,4] diazthines compound and application thereof | 沈阳药科大学 | 2019-03-01 | — | — | CN | disclosed |
| CN-106243130-A | 3,6 diaryl [1,2,4] triazole also [3,4 b] [1,3,4] diazthines compound and application thereof | 沈阳药科大学 | 2016-12-21 | — | — | CN | disclosed |