Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 6/20 | 0.43 |
| ▸ | HTR2C | P28335 | 6/20 | 0.43 |
| ▸ | KMO | O15229 | 3/20 | 0.42 |
| ▸ | GLS | O94925 | 1/20 | 0.41 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 3/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 2/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.34 |
| ▸ | HTR1D | P28221 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL12680052 | 0.81 | KMO (0.50) | HTR2AHTR2CKMOGLSCACNA1H | |
| SCHEMBL13548 | 0.80 | KMO (0.49) | HTR2AHTR2CKMOGLSCACNA1H | |
| SCHEMBL29200969 | 0.80 | CHEK1 (0.50) | HTR2AHTR2CKMOGLSCACNA1H | |
| SCHEMBL15341861 | 0.78 | HTR2A (0.44) | HTR2AHTR2CKMOGLSCACNA1H | |
| SCHEMBL13592 | 0.77 | TRPA1 (0.45) | CYP1A2MAOBMAOAPDE1C | |
| SCHEMBL23497966 | 0.76 | CYP2A6 (0.47) | HTR2AHTR2CKMOGLSCACNA1H | |
| SCHEMBL30044048 | 0.76 | CYP2A6 (0.47) | HTR2AHTR2CKMOGLSCACNA1H | |
| SCHEMBL29487638 | 0.75 | CYP1A2 (0.62) | KMOCYP1A2POLBRECQLHSD17B10 | |
| SCHEMBL5565705 | 0.75 | CYP1A2 (0.62) | KMOCYP1A2POLBRECQLHSD17B10 | |
| SCHEMBL11888551 | 0.74 | MCHR1 (0.40) | HTR2AHTR2CKMOGLSCACNA1H |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011044187-A1 | IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | SCHERING CORPORATION (US) | 2011-04-14 | — | — | WO | disclosed |