Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | FLT1 | P17948 | 2/20 | 0.37 |
| ▸ | FLT4 | P35916 | 2/20 | 0.37 |
| ▸ | KDR | P35968 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | GPR27 | Q9NS67 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.36 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3807286 | 0.88 | CYP1A2 (0.41) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3809084 | 0.85 | CYP1A2 (0.39) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3817171 | 0.85 | CYP1A2 (0.39) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2157844 | 0.84 | CYP1A2 (0.41) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2157800 | 0.84 | MAPT (0.48) | NPC1ALDH1A1MAPTHPGDHTT | |
| SCHEMBL3812070 | 0.84 | CYP3A4 (0.43) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3811121 | 0.83 | CYP1A2 (0.38) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3816891 | 0.83 | CYP1A2 (0.38) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3809481 | 0.83 | CYP1A2 (0.37) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3811165 | 0.83 | CYP3A4 (0.41) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 |
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 |