Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 11/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP3 | P08254 | 1/20 | 0.40 |
| ▸ | MMP7 | P09237 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14048985 | 0.92 | SMN1; SMN2 (0.44) | SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6 | |
| SCHEMBL2879579 | 0.89 | SMN1; SMN2 (0.44) | SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6 | |
| SCHEMBL14136979 | 0.86 | KDM4E (0.48) | SMN1; SMN2NPC1RAB9AHTTKDM4E | |
| SCHEMBL2158340 | 0.85 | SMN1; SMN2 (0.40) | SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6 | |
| SCHEMBL14030873 | 0.82 | SMN1; SMN2 (0.43) | SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6 | |
| SCHEMBL6426855 | 0.81 | SMN1; SMN2 (0.45) | SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6 | |
| SCHEMBL2870816 | 0.80 | HTT (0.40) | SMN1; SMN2NPC1RAB9AHTTKDM4E | |
| SCHEMBL12464666 | 0.80 | SMN1; SMN2 (0.45) | SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6 | |
| SCHEMBL2157890 | 0.79 | GRIN2B (0.57) | SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6 | |
| SCHEMBL2746312 | 0.79 | SMN1; SMN2 (0.45) | SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6 |
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-7402608-B2 | Compounds and methods for the treatment or prevention of Flavivirus infections | VIROCHEM PHARMA INC. (CA) | 2008-07-22 | — | — | US | disclosed |