Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 3/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 2/20 | 0.33 |
| ▸ | S100A4 | P26447 | 1/20 | 0.33 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.33 |
| ▸ | PADI1 | Q9ULC6 | 1/20 | 0.33 |
| ▸ | PADI3 | Q9ULW8 | 1/20 | 0.33 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.33 |
| ▸ | PADI2 | Q9Y2J8 | 1/20 | 0.33 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.33 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.32 |
| ▸ | PDE2A | O00408 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
| ▸ | BTK | Q06187 | 1/20 | 0.32 |
| ▸ | EDNRB | P24530 | 1/20 | 0.31 |
| ▸ | EDNRA | P25101 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8322076 | 0.79 | HCRTR1 (0.36) | HCRTR1HCRTR2CES2BTKEDNRB | |
| SCHEMBL8324080 | 0.77 | TUBB4A (0.35) | ADORA2ACES2 | |
| SCHEMBL8321836 | 0.76 | EDNRA (0.37) | CES2EDNRBEDNRACYP1A2CYP2C9 | |
| SCHEMBL8319030 | 0.76 | MAOB (0.38) | HCRTR1HCRTR2ADORA2A | |
| SCHEMBL8918214 | 0.75 | CES2 (0.36) | HCRTR1HCRTR2CES2EDNRBEDNRA | |
| SCHEMBL8576515 | 0.72 | EDNRB (0.33) | EDNRBEDNRA | |
| SCHEMBL8572771 | 0.69 | EDNRB (0.34) | EDNRBEDNRA | |
| SCHEMBL8693898 | 0.68 | HCAR3 (0.38) | CYP1A2CYP2C9CYP2C19TDP2 | |
| SCHEMBL8810384 | 0.68 | NPSR1 (0.36) | EDNRBEDNRA | |
| SCHEMBL8809785 | 0.67 | HKDC1 (0.35) | S100A4HKDC1PADI1PADI3PADI4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0752424-A1 | NICOTINIC ACID DERIVATIVE AND HERBICIDE | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 1997-01-08 | — | — | EP | disclosed |