Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 4/20 | 0.33 |
| ▸ | HPGD | P15428 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL2874891 | 0.88 | CYP3A4 (0.36) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3809084 | 0.86 | CYP1A2 (0.39) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3814750 | 0.84 | CYP1A2 (0.36) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3816891 | 0.84 | CYP1A2 (0.38) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3809481 | 0.83 | CYP1A2 (0.37) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3808899 | 0.83 | PDK1 (0.37) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3811515 | 0.83 | ALDH1A1 (0.38) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3807407 | 0.82 | IKBKB (0.36) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL13093847 | 0.81 | CYP3A4 (0.38) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6250386 | 0.80 | CYP3A4 (0.40) | 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 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 |