Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPI | P34949 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | CASP6 | P55212 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.42 |
| ▸ | PDE4A | P27815 | 2/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.42 |
| ▸ | DNMT3A | Q9Y6K1 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | PPARD | Q03181 | 1/20 | 0.39 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL787280 | 0.92 | MPI (0.60) | MPICYP1A2CYP2C9PDE4BPDE4A | |
| SCHEMBL805880 | 0.88 | MPI (0.60) | MPICYP1A2CYP2C9PDE4BPDE4A | |
| SCHEMBL787586 | 0.85 | MPI (0.58) | MPICYP1A2CYP2C9PDE4BPDE4A | |
| SCHEMBL805879 | 0.84 | CYP1A2 (0.58) | MPIPOLBCYP1A2CYP2C9PLA2G4B | |
| SCHEMBL804299 | 0.80 | MPI (0.67) | MPICYP1A2CYP2C9PDE4BPDE4A | |
| SCHEMBL804302 | 0.80 | MPI (0.65) | MPICYP1A2CYP2C9DNMT3A | |
| SCHEMBL787404 | 0.75 | CYP1A2 (0.65) | MPICYP1A2CYP2C9 | |
| SCHEMBL804282 | 0.74 | CYP1A2 (0.77) | MPICYP1A2CYP2C9 | |
| SCHEMBL787090 | 0.73 | CYP1A2 (0.79) | MPICYP1A2CYP2C9 | |
| SCHEMBL787380 | 0.73 | CYP1A2 (0.67) | MPICYP1A2CYP2C9PPARD |
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-2011116356-A2 | POSITIVE ALLOSTERIC MODULATORS OF GROUP II MGLURS | SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) | 2011-09-22 | — | — | WO | disclosed |