Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | MAOA | P21397 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 2/20 | 0.30 |
| ▸ | CA1 | P00915 | 2/20 | 0.30 |
| ▸ | CA2 | P00918 | 2/20 | 0.30 |
| ▸ | CA9 | Q16790 | 2/20 | 0.30 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.30 |
| ▸ | RARB | P10826 | 1/20 | 0.30 |
| ▸ | RARG | P13631 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20157680 | 0.82 | POLB (0.42) | RXRAALDH1A1POLBHPGDHDAC1 | |
| SCHEMBL21362581 | 0.73 | ANO1 (0.40) | RXRAMAOBSMN1; SMN2 | |
| SCHEMBL21550431 | 0.72 | HPGD (0.44) | ALDH1A1POLBHPGDGAAKEAP1 | |
| SCHEMBL21362535 | 0.69 | SMN1; SMN2 (0.43) | RXRAALDH1A1HPGDCA12CA1 | |
| SCHEMBL10704841 | 0.69 | FLT1 (0.47) | ALDH1A1POLBHPGDHDAC1SMN1; SMN2 | |
| SCHEMBL20157693 | 0.69 | MAPT (0.49) | ALDH1A1POLB | |
| SCHEMBL31619553 | 0.68 | ALDH1A1 (0.46) | ALDH1A1HPGDMAOAMAOBGAA | |
| SCHEMBL10389925 | 0.68 | HSD11B1 (0.46) | ALDH1A1POLBHPGDSMN1; SMN2 | |
| SCHEMBL20244265 | 0.68 | HSD11B1 (0.44) | ALDH1A1POLBHPGDMAOAMAOB | |
| SCHEMBL20157692 | 0.68 | MAPK1 (0.44) | RXRAALDH1A1POLBHPGDMAOA |
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-2018086605-A1 | NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |