Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 6/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | CCNC | P24863 | 1/20 | 0.35 |
| ▸ | CDK8 | P49336 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MITF | O75030 | 1/20 | 0.34 |
| ▸ | ALPG | P10696 | 1/20 | 0.34 |
| ▸ | NT5E | P21589 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL14077456 | 0.85 | HTT (0.42) | CYP1A2CYP2D6CYP2C9CYP2C19RXFP1 | |
| SCHEMBL20450508 | 0.83 | LMNA (0.38) | CYP1A2CYP2D6CYP2C9CYP2C19RXFP1 | |
| SCHEMBL22164596 | 0.81 | LMNA (0.39) | CYP1A2CYP2D6CYP2C9CYP2C19RXFP1 | |
| SCHEMBL30620821 | 0.78 | HTT (0.36) | RXFP1CASP3HTTALDH1A1LMNA | |
| SCHEMBL1047655 | 0.76 | ALDH1A1 (0.36) | CASP3HTTALDH1A1LMNAKDM4E | |
| SCHEMBL13106339 | 0.75 | CASP3 (0.48) | CYP1A2CYP2D6CYP2C9CYP2C19RXFP1 | |
| SCHEMBL1048915 | 0.74 | CASP3 (0.40) | CYP1A2CYP2D6CYP2C9CYP2C19RXFP1 | |
| SCHEMBL13106483 | 0.74 | CASP3 (0.40) | CYP1A2CYP2D6CYP2C9CYP2C19RXFP1 | |
| SCHEMBL17459798 | 0.74 | HTT (0.42) | CYP1A2CYP2D6CYP2C9CYP2C19RXFP1 | |
| SCHEMBL26114227 | 0.72 | CASP3 (0.39) | CYP1A2CYP2D6CYP2C9CYP2C19RXFP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102675286-A | Indazole compounds, preparation method, application and pharmaceutical composition thereof | SHANGHAI INST MATERIA MEDICA | 2012-09-19 | — | — | CN | disclosed |