Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | NPY5R | Q15761 | 3/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | ALPL | P05186 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | LPL | P06858 | 1/20 | 0.33 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.33 |
| ▸ | GCGR | P47871 | 1/20 | 0.32 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22040138 | 0.76 | MAOB (0.37) | MAPK14PTGS1PTGS2MAOBABL1 | |
| SCHEMBL23878282 | 0.68 | POLB (0.41) | MAOBCYP3A4HTT | |
| SCHEMBL24414772 | 0.67 | CHRNB4 (0.55) | MAPK14CHRNB4CHRNA3NPC1RAB9A | |
| SCHEMBL19072298 | 0.67 | NPC1 (0.42) | MAPK14PTGS1PTGS2MAOBHTT | |
| SCHEMBL8151174 | 0.66 | CHRNB4 (0.64) | MAPK14CHRNB4CHRNA3NPC1RAB9A | |
| SCHEMBL24363981 | 0.63 | HTR2A (0.42) | MAPK14 | |
| SCHEMBL23188911 | 0.60 | MAPT (0.37) | MAPK14PTGS1PTGS2MAOBHTT | |
| SCHEMBL1907131 | 0.60 | NPY5R (0.38) | NPY5RCHRNB4CHRNA3 | |
| SCHEMBL23960356 | 0.60 | LPL (0.35) | PTGS1PTGS2NPY5RALPLHTT | |
| SCHEMBL20622620 | 0.59 | OPRD1 (0.43) | PLA2G7 |
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-114950558-B | Bipiperidine skeleton tetradentate nitrogen-containing manganese catalyst and method for catalyzing hydrocarbon molecule benzyl site selective oxidation by using same | 陕西师范大学 | 2023-08-11 | — | — | CN | disclosed |
| CN-114950558-A | Bipiperidine skeleton tetradentate nitrogen-containing manganese catalyst and method for catalyzing benzyl-site selective oxidation of hydrocarbon molecules by using same | 陕西师范大学 | 2022-08-30 | — | — | CN | disclosed |