Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | PTPN5 | P54829 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PDE2A | O00408 | 2/20 | 0.32 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.30 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.30 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.30 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.30 |
| ▸ | GCGR | P47871 | 1/20 | 0.30 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.30 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.30 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28470285 | 0.81 | ALOX5 (0.43) | DHODHTP53MAPTALOX5PTGS2 | |
| SCHEMBL28662913 | 0.78 | PTGS2 (0.40) | TP53MAPTPTGS2NOX1HTT | |
| SCHEMBL12570863 | 0.77 | DHODH (0.44) | DHODHPTPN5NPC1TP53RAB9A | |
| SCHEMBL13455319 | 0.77 | CA1 (0.44) | TP53RAB9ANPSR1MAPTPDE2A | |
| SCHEMBL26751154 | 0.71 | PDE2A (0.34) | PDE2APTGS1HTT | |
| SCHEMBL29625393 | 0.71 | TTR (0.47) | DHODHPTPN5NPC1TP53RAB9A | |
| SCHEMBL28468561 | 0.70 | TAAR1 (0.38) | DHODHNPC1RAB9ANISCHNOTUM | |
| SCHEMBL19415932 | 0.69 | ANPEP (0.43) | DHODHPTPN5NPC1TP53RAB9A | |
| SCHEMBL15037484 | 0.68 | DHODH (0.37) | DHODHNPC1RAB9AMAPTPTGS2 | |
| SCHEMBL26750677 | 0.68 | PDE2A (0.33) | PDE2A |
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-111434654-B | Triazole hexanone biaryl (hetero) ring derivative and preparation method and application thereof | 四川大学 | 2023-06-09 | — | — | CN | disclosed |
| CN-114560816-A | Triazole biaryl (hetero) ring derivative and preparation method and application thereof | 四川大学华西医院 | 2022-05-31 | — | — | CN | disclosed |