Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | TRPC3 | Q13507 | 1/20 | 0.36 |
| ▸ | TRPC6 | Q9Y210 | 1/20 | 0.36 |
| ▸ | TBXAS1 | P24557 | 3/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | HTR2B | P41595 | 2/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.33 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | LHCGR | P22888 | 2/20 | 0.33 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.33 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL34469114 | 0.78 | PPARG (0.37) | PPARGCYP19A1CYP2D6TBXAS1HTR2A | |
| SCHEMBL31569261 | 0.78 | HRH1 (0.37) | PPARGCYP19A1CYP2D6TBXAS1HTR2A | |
| SCHEMBL15222063 | 0.78 | MAOA (0.40) | CYP19A1CYP2D6TRPC3TRPC6TBXAS1 | |
| SCHEMBL8034390 | 0.78 | MAOA (0.40) | CYP19A1CYP2D6TRPC3TRPC6TBXAS1 | |
| SCHEMBL15019739 | 0.76 | TRPM8 (0.35) | PPARGTRPM8 | |
| SCHEMBL29785644 | 0.74 | DRD1 (0.45) | HTR2AHTR2CHTR2BSIGMAR1TRPM8 | |
| SCHEMBL29676795 | 0.74 | DRD1 (0.45) | HTR2AHTR2CHTR2BSIGMAR1TRPM8 | |
| SCHEMBL20358479 | 0.74 | DRD1 (0.45) | HTR2AHTR2CHTR2BSIGMAR1TRPM8 | |
| SCHEMBL31569049 | 0.74 | TRPC3 (0.45) | TRPC3TRPC6TBXAS1HTR2AHTR2C | |
| SCHEMBL31569530 | 0.72 | — | — |
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-2013087808-A1 | PHARMACEUTICAL COMPOSITION COMPRISING A PYRAZOLOPYRIMIDME AND CYCLODEXTRIN | MERZ PHARMA GMBH & CO. KGAA (DE) | 2013-06-20 | — | — | WO | disclosed |