Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 6/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | LIG1 | P18858 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| Formic Acid Methyl Ester SCHEMBL28869941 | 0.84 | SLC6A3 (0.36) | HSD11B1MAOBMAOASLC6A3SLC6A4 | |
| Formic Acid SCHEMBL28100896 | 0.82 | ESR1 (0.47) | HSD11B1SLC6A3SLC6A4LIG1SLC6A2 | |
| SCHEMBL2510806 | 0.76 | TRIM24 (0.39) | — | |
| Formic Acid SCHEMBL27369254 | 0.73 | CES2 (0.50) | HSD11B1 | |
| SCHEMBL12020399 | 0.72 | LIG1 (0.41) | HSD11B1MAOBMAOASLC6A3SLC6A4 | |
| Formic Acid SCHEMBL28280774 | 0.70 | ALDH1A1 (0.39) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL14636431 | 0.69 | MAOB (0.42) | MAOBMAOASLC6A3SLC6A4SLC6A2 | |
| SCHEMBL4728073 | 0.69 | HSD11B1 (0.44) | HSD11B1APPCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL3244627 | 0.69 | CYP2A6 (0.38) | LIG1HDAC1 | |
| SCHEMBL20203285 | 0.69 | MAOA (0.48) | HSD11B1MAOBMAOASLC6A3CYP3A4 |
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-105916855-B | Substituted 4, 5, 6, 7-tetrahydropyrazolo [1,5-a ] pyrazine derivatives as casein kinase 1D/E inhibitors | 百时美施贵宝公司 | 2019-03-15 | — | — | CN | disclosed |