Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 1/20 | 0.67 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CCR5 | P51681 | 6/20 | 0.49 |
| ▸ | CFD | P00746 | 1/20 | 0.49 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.49 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.49 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.47 |
| ▸ | DRD1 | P21728 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | INSR | P06213 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL178977 | 0.89 | TRPV1 (0.57) | AKT1TRPV1PTGS1RAB9AKDM4E | |
| SCHEMBL178978 | 0.86 | TRPV1 (0.58) | AKT1TRPV1PTGS1RAB9AKDM4E | |
| SCHEMBL11862228 | 0.86 | PTGS1 (0.54) | AKT1TRPV1PTGS1RAB9AKDM4E | |
| SCHEMBL9588895 | 0.84 | TRPV1 (0.60) | AKT1TRPV1PTGS1RAB9AKDM4E | |
| SCHEMBL17253827 | 0.84 | CYP4F2 (0.54) | AKT1TRPV1PTGS1RAB9AKDM4E | |
| SCHEMBL10439122 | 0.83 | TRPV1 (0.53) | AKT1TRPV1PTGS1RAB9AKDM4E | |
| SCHEMBL809884 | 0.83 | AKT1 (0.56) | AKT1TRPV1PTGS1RAB9AKDM4E | |
| SCHEMBL14232849 | 0.83 | TRPV1 (0.52) | AKT1TRPV1PTGS1RAB9AKDM4E | |
| SCHEMBL30846848 | 0.83 | TRPV1 (0.52) | AKT1TRPV1PTGS1RAB9AKDM4E | |
| SCHEMBL10483834 | 0.83 | KDM4E (0.56) | AKT1TRPV1PTGS1RAB9AKDM4E |
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-117843491-A | 4- (2- (nitrooxy) ethyl) -1,2-phenylene diacetate and synthetic method, application and medicine thereof | 陕西中医药大学 | 2024-04-09 | — | — | CN | claimed |
| CN-117843491-A | 4- (2- (nitrooxy) ethyl) -1,2-phenylene diacetate and synthetic method, application and medicine thereof | 陕西中医药大学 | 2024-04-09 | — | — | CN | disclosed |