Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 1/20 | 0.37 |
| ▸ | HPGDS | O60760 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CDK14 | O94921 | 2/20 | 0.34 |
| ▸ | CCNY | Q8ND76 | 2/20 | 0.34 |
| ▸ | UGCG | Q16739 | 1/20 | 0.34 |
| ▸ | SCN1A | P35498 | 1/20 | 0.34 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.34 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | PTGES | O14684 | 1/20 | 0.33 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12824856 | 0.90 | SMO (0.37) | SMOHPGDSCYP2D6CYP2C19SCN9A | |
| SCHEMBL10003640 | 0.84 | SMO (0.46) | SMOHPGDSCYP2D6CYP2C19SCN9A | |
| SCHEMBL12825027 | 0.82 | SMO (0.43) | SMOHTTKDM4EALDH1A1 | |
| SCHEMBL12825060 | 0.82 | SMO (0.43) | SMOHPGDSCYP2C19SLC6A5ALDH1A1 | |
| SCHEMBL12825061 | 0.81 | SMO (0.46) | SMO | |
| SCHEMBL12825025 | 0.80 | SMO (0.48) | SMOCDK14CCNYLMNA | |
| SCHEMBL12824860 | 0.80 | CYP2D6 (0.42) | SMOCYP2D6CYP2C19POLBLMNA | |
| SCHEMBL12824727 | 0.80 | SMO (0.45) | SMOALDH1A1 | |
| SCHEMBL12825024 | 0.79 | HTT (0.35) | HTTUGCGKDM4EALDH1A1LMNA | |
| SCHEMBL12825026 | 0.78 | SMO (0.43) | SMOHTT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011024869-A1 | FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF | 武田薬品工業株式会社 (JP) | 2011-03-03 | — | — | WO | disclosed |