Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.43 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.42 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4738404 | 0.85 | CYP2C9 (0.49) | CYP2C9TSHRPPARAADRB2ADRB1 | |
| SCHEMBL1244852 | 0.83 | CYP4F2 (0.42) | CYP4F2CYP4A11PPARAHRH3CA2 | |
| SCHEMBL1037011 | 0.83 | HRH3 (0.47) | CYP4F2CYP4A11PPARAHRH3CA2 | |
| SCHEMBL8047274 | 0.81 | ACACB (0.52) | CYP4F2CYP4A11PPARAADRB2ADRB1 | |
| SCHEMBL9437679 | 0.81 | CA2 (0.46) | CYP4F2CYP4A11PPARAADRB2ADRB1 | |
| SCHEMBL11793369 | 0.79 | ALDH1A1 (0.43) | CYP2C9TSHR | |
| SCHEMBL7524165 | 0.79 | S1PR1 (0.52) | HRH3ADRB3PTGS2 | |
| SCHEMBL11563229 | 0.77 | PTGS1 (0.50) | CYP2C9TSHRADRB2ADRB1ADRB3 | |
| SCHEMBL7931690 | 0.77 | CYP2C9 (0.60) | CYP2C9TSHRCA2 | |
| SCHEMBL15275628 | 0.76 | ADRB2 (0.50) | TSHRPPARAADRB2ADRB1NR3C1 |
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-2008096129-A1 | NITROGEN CONTAINING HETROCYCLIC COMPOUNDS USEFUL AS BIFUNCTIONAL MODULATORS OF M3 RECEPTORS AND BETA- 2 RECEPTORS | ARGENTA DISCOVERY LTD (GB) | 2008-08-14 | — | — | WO | disclosed |