Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 2/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.32 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4962943 | 0.82 | ADRA2A (0.40) | ADRA2AADRA2BADRA2CALDH1A1HPGD | |
| SCHEMBL4963694 | 0.78 | CA2 (0.50) | ADRA2AADRA2BADRA2CHTTCA2 | |
| SCHEMBL4961674 | 0.78 | CA2 (0.50) | ADRA2AADRA2BADRA2CHTTCA2 | |
| SCHEMBL8225803 | 0.78 | CA2 (0.50) | ADRA2AADRA2BADRA2CHTTCA2 | |
| SCHEMBL4962093 | 0.76 | CA2 (0.48) | ADRA2AADRA2BADRA2CHTTCA2 | |
| SCHEMBL4963526 | 0.75 | CA2 (0.44) | ADRA2AADRA2BADRA2CALDH1A1HPGD | |
| SCHEMBL4962088 | 0.75 | CA2 (0.53) | ALDH1A1HTTCA2ADRA1DADRA1A | |
| SCHEMBL4649843 | 0.75 | HTR1A (0.40) | HPGDCA2PTPRCNPC1TP53 | |
| SCHEMBL6104980 | 0.73 | CA2 (0.51) | ALDH1A1HPGDHTTCA2ADRA1D | |
| SCHEMBL6103365 | 0.73 | CA2 (0.51) | HTTCA2ADRA1DADRA1AADRA1B |
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 |
|---|---|---|---|---|---|---|---|
| EP-1871759-A1 | BENZODIOXANE AND BENZODIOXOLANE DERIVATIVES AND USES THEREOF | Wyeth a Corporation of the State of Delaware (US) | 2008-01-02 | — | — | EP | disclosed |
| WO-2006116158-A1 | BENZODIOXANE AND BENZODIOXOLANE DERIVATIVES AND USES THEREOF | WYETH (US) | 2006-11-02 | — | — | WO | disclosed |