Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 2/20 | 0.42 |
| ▸ | EDNRA | P25101 | 5/20 | 0.40 |
| ▸ | EDNRB | P24530 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | MITF | O75030 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL31481665 | 0.94 | PTGS2 (0.47) | PTGS2AKR1B1CASP1EDNRAEDNRB | |
| SCHEMBL28177145 | 0.92 | PTGS2 (0.46) | PTGS2AKR1B1CASP1EDNRAEDNRB | |
| Water SCHEMBL28300539 | 0.90 | PTGS2 (0.44) | PTGS2AKR1B1CASP1EDNRAEDNRB | |
| SCHEMBL29589889 | 0.83 | PTGS2 (0.46) | PTGS2AKR1B1CASP1EDNRAEDNRB | |
| SCHEMBL27561450 | 0.82 | PTGS2 (0.44) | PTGS2AKR1B1CASP1EDNRAEDNRB | |
| SCHEMBL27956621 | 0.82 | CA2 (0.45) | PTGS2AKR1B1CASP1EDNRAEDNRB | |
| SCHEMBL11430828 | 0.81 | CASP1 (0.38) | PTGS2AKR1B1CASP1EDNRAEDNRB | |
| SCHEMBL31463127 | 0.79 | AKR1B1 (0.56) | PTGS2AKR1B1CASP1EDNRAEDNRB | |
| SCHEMBL28602046 | 0.79 | CASP1 (0.41) | PTGS2AKR1B1CASP1EDNRAEDNRB | |
| SCHEMBL27912469 | 0.79 | AKR1B1 (0.39) | PTGS2AKR1B1CASP1EDNRAEDNRB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6489474-B1 | A PROCESS FOR PRODUCING AN AMIDE COMPOUND BY SUBJECTING AN OXIME COMPOUND TO BECKMANN REARRANGEMENT IN A LIQUID PHASE, WHEREIN THE REACTION IS CARRIED OUT IN THE PRESENCE OF A NON-FLUORINE-CONTAINING SULFONIC ANHYDRIDE AND AN | MITSUBISHI CHEMICAL CORPORATION (JP) | 2002-12-03 | — | — | US | disclosed |