Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | FLT1 | P17948 | 1/20 | 0.32 |
| ▸ | FLT4 | P35916 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | NPY1R | P25929 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3811121 | 0.92 | CYP1A2 (0.38) | CYP1A2CYP2D6CYP2C9CYP2C19SLC6A2 | |
| SCHEMBL3814645 | 0.88 | ALDH1A1 (0.41) | CYP1A2CYP2D6CYP2C9CYP2C19SLC6A2 | |
| SCHEMBL3807840 | 0.87 | ALDH1A1 (0.42) | CYP1A2CYP2D6CYP2C9CYP2C19SLC6A2 | |
| SCHEMBL12358186 | 0.86 | CYP1A2 (0.35) | CYP1A2CYP2D6CYP2C9CYP2C19KDM4E | |
| SCHEMBL2158246 | 0.86 | CYP1A2 (0.35) | CYP1A2CYP2D6CYP2C9CYP2C19KDM4E | |
| SCHEMBL3807319 | 0.86 | SLC6A4 (0.43) | CYP1A2CYP2D6CYP2C9CYP2C19SLC6A2 | |
| SCHEMBL3815986 | 0.85 | OPRM1 (0.40) | CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL3809490 | 0.84 | SLC6A4 (0.48) | CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL3811326 | 0.83 | MEN1 (0.37) | KDM4EALDH1A1MEN1KMT2ANPY1R | |
| SCHEMBL3812067 | 0.83 | P2RX7 (0.39) | MEN1KMT2ANPY1R |
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 |
|---|---|---|---|---|---|---|---|
| EP-1401825-B1 | THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION | VIROCHEM PHARMA INC (CA) | 2009-08-05 | — | — | EP | claimed |