Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 10/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6426855 | 0.94 | SMN1; SMN2 (0.45) | SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B | |
| SCHEMBL14030873 | 0.87 | SMN1; SMN2 (0.43) | SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B | |
| SCHEMBL2879579 | 0.87 | SMN1; SMN2 (0.44) | SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B | |
| SCHEMBL3812649 | 0.83 | CYP2E1 (0.38) | SMN1; SMN2CYP2C19HTT | |
| SCHEMBL2157463 | 0.82 | SMN1; SMN2 (0.41) | SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B | |
| SCHEMBL14030802 | 0.81 | ACKR3 (0.38) | SMN1; SMN2CYP2C19NPC1RAB9AHTT | |
| SCHEMBL2157834 | 0.81 | CYP2E1 (0.43) | HTT | |
| SCHEMBL14048985 | 0.81 | SMN1; SMN2 (0.44) | SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B | |
| SCHEMBL14136980 | 0.80 | SMN1; SMN2 (0.44) | SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B | |
| SCHEMBL2876357 | 0.79 | CYP2E1 (0.42) | HTT |
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 |
|---|---|---|---|---|---|---|---|
| US-7985769-B2 | Compounds and methods for the treatment or prevention of Flavivirus infections | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-07-26 | — | — | US | disclosed |