Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX12 | P18054 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | TDO2 | P48775 | 2/20 | 0.46 |
| ▸ | IDO2 | Q6ZQW0 | 2/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | METAP2 | P50579 | 1/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL16854205 | 0.88 | HDAC1 (0.55) | RAB9ATDO2IDO2HDAC1HDAC8 | |
| SCHEMBL20081318 | 0.87 | ALOX12 (0.70) | ALOX12PIK3CDMDM2TDO2IDO2 | |
| SCHEMBL20081376 | 0.85 | HPD (0.49) | TDO2IDO2HDAC1HDAC8HDAC6 | |
| SCHEMBL20081302 | 0.83 | POLB (0.52) | MAPTTDO2IDO2HDAC1HDAC8 | |
| SCHEMBL20067856 | 0.81 | PIK3CD (0.61) | ALOX12PIK3CDMDM2TDO2IDO2 | |
| SCHEMBL19992063 | 0.80 | PIK3CD (0.51) | ALOX12RAB9APIK3CDMAPTMDM2 | |
| SCHEMBL16293498 | 0.80 | PIK3CD (0.61) | ALOX12PIK3CDMDM2TDO2IDO2 | |
| SCHEMBL16293497 | 0.80 | PIK3CD (0.61) | ALOX12PIK3CDMDM2TDO2IDO2 | |
| SCHEMBL24090095 | 0.77 | PIK3CD (0.50) | ALOX12RAB9APIK3CDMAPTMDM2 | |
| SCHEMBL30103245 | 0.77 | PIK3CD (0.50) | ALOX12RAB9APIK3CDMDM2TDO2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3312175-A1 | HETEROARYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH PI3 KINASES, CONTAINING SAME AS ACTIVE INGREDIENT | Korea Research Institute of Chemical Technology (KR) | 2018-04-25 | — | — | EP | disclosed |