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 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | FLT1 | P17948 | 1/20 | 0.32 |
| ▸ | FLT4 | P35916 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL3815594 | 0.90 | CYP1A2 (0.34) | CYP1A2CYP2D6CYP2C9CYP2C19LMNA | |
| SCHEMBL3814757 | 0.89 | LMNA (0.36) | CYP1A2CYP2D6CYP2C9CYP2C19LMNA | |
| SCHEMBL3814645 | 0.88 | ALDH1A1 (0.41) | CYP1A2CYP2D6CYP2C9CYP2C19LMNA | |
| SCHEMBL3807840 | 0.87 | ALDH1A1 (0.42) | CYP1A2CYP2D6CYP2C9CYP2C19LMNA | |
| SCHEMBL2876983 | 0.86 | IKBKB (0.36) | CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL12396462 | 0.86 | IKBKB (0.36) | CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL14030852 | 0.86 | IKBKB (0.36) | CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL12358192 | 0.86 | IKBKB (0.36) | CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL3811121 | 0.86 | CYP1A2 (0.38) | CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1 | |
| Hydrochloric Acid SCHEMBL2246942 | 0.86 | IKBKB (0.35) | CYP1A2CYP2D6CYP2C9CYP2C19CHEK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1569929-B9 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VIROCHEM PHARMA INC (CA) | 2011-09-14 | — | — | EP | claimed |
| EP-1569929-B1 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VIROCHEM PHARMA INC (CA) | 2010-05-05 | — | — | EP | claimed |