Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.36 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.36 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | FLT1 | P17948 | 2/20 | 0.36 |
| ▸ | FLT4 | P35916 | 2/20 | 0.36 |
| ▸ | KDR | P35968 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5195687 | 0.87 | CYP1A2 (0.47) | CYP1A2CYP2C9CYP2C19CYP2D6HPGD | |
| SCHEMBL5195339 | 0.86 | CYP1A2 (0.46) | CYP1A2CYP2C9CYP2C19CYP2D6HPGD | |
| SCHEMBL5193749 | 0.84 | CYP3A4 (0.50) | CYP1A2CYP2C9CYP2C19CYP2D6HPGD | |
| SCHEMBL3809084 | 0.80 | CYP1A2 (0.39) | CYP1A2CYP2C9CYP2C19CYP2D6HPGD | |
| SCHEMBL5194116 | 0.78 | USP2 (0.40) | CYP1A2CYP2C19KMT2AMAPTKDM4E | |
| SCHEMBL3807383 | 0.78 | CYP1A2 (0.38) | CYP1A2CYP2C9CYP2C19CYP2D6HPGD | |
| SCHEMBL3811268 | 0.77 | CYP1A2 (0.37) | CYP1A2CYP2C9CYP2C19CYP2D6HPGD | |
| SCHEMBL3807407 | 0.76 | IKBKB (0.36) | CYP1A2CYP2C9CYP2C19CYP2D6MAPT | |
| SCHEMBL5197734 | 0.76 | POLB (0.49) | CYP1A2CYP2C19HPGDKMT2AMAPT | |
| SCHEMBL5195844 | 0.75 | DHODH (0.49) | CYP1A2CYP2C9CYP2C19CYP2D6HPGD |
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-1321463-B1 | Thiazole derivatives and their use for the treatment or prevention of Flavivirus infections | VIROCHEM PHARMA INC (CA) | 2007-08-08 | — | — | EP | claimed |