Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HTR1B | P28222 | 2/20 | 0.40 |
| ▸ | HTR6 | P50406 | 4/20 | 0.39 |
| ▸ | HTR1D | P28221 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 3/20 | 0.38 |
| ▸ | PPARA | Q07869 | 3/20 | 0.38 |
| ▸ | PPARD | Q03181 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18362160 | 0.80 | HTR6 (0.48) | CYP1A2CYP2C9CYP2C19HTR6PPARG | |
| SCHEMBL6625887 | 0.78 | HTR1B (0.43) | CYP1A2CYP2C9CYP2C19HTR1BHTR6 | |
| SCHEMBL19089432 | 0.76 | RHEB (0.50) | CYP1A2CYP2C9CYP2C19HTR1BHTR6 | |
| SCHEMBL20655557 | 0.75 | HTR6 (0.46) | HTR6MCHR1PPARGPPARAPPARD | |
| SCHEMBL18069184 | 0.74 | HTR6 (0.69) | CYP1A2CYP2C9CYP2C19HTR6PPARG | |
| SCHEMBL2924471 | 0.74 | CYP2C9 (0.59) | CYP1A2CYP2C9CYP2C19HTR1BHTR1D | |
| SCHEMBL30503960 | 0.74 | CYP2C9 (0.59) | CYP1A2CYP2C9CYP2C19HTR1BHTR1D | |
| SCHEMBL28781865 | 0.73 | PPARG (0.40) | HTR6PPARGPPARAPPARDCNR1 | |
| SCHEMBL20655543 | 0.72 | GRM2 (0.42) | CYP2C9HTR1BHTR6HTR1DMCHR1 | |
| SCHEMBL18361827 | 0.72 | LOXL2 (0.53) | CYP1A2CYP2C9CYP2C19HTR1BHTR6 |
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-1999043323-A1 | COMPOUNDS AND METHODS FOR CHEMOSENSITIZING MULTIDRUG RESISTANT CELLS | FOX CHASE CANCER CENTER (US) | 1999-09-02 | — | — | WO | disclosed |