Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | PTPRA | P18433 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28567667 | 1.00 | PARP10 (0.43) | PARP10CYP1A2ALDH1A1RAB9ANPC1 | |
| SCHEMBL9911543 | 0.79 | CYP1A2 (0.54) | CYP1A2ALDH1A1RAB9ANPC1PTPRA | |
| SCHEMBL20330203 | 0.76 | POLB (0.48) | CYP1A2ALDH1A1RAB9ANPC1PTPRA | |
| SCHEMBL355182 | 0.75 | TSHR (0.57) | CYP1A2ALDH1A1RAB9ANPC1PTPRA | |
| SCHEMBL28625425 | 0.74 | KMT2A (0.53) | ALDH1A1RAB9ANPC1SMN1; SMN2KDM4E | |
| SCHEMBL28625426 | 0.74 | KMT2A (0.53) | ALDH1A1RAB9ANPC1SMN1; SMN2KDM4E | |
| Pyridine Acetamide SCHEMBL29431271 | 0.73 | RAB9A (0.54) | PARP10CYP1A2ALDH1A1RAB9ANPC1 | |
| Pyridine Acetamide SCHEMBL176893 | 0.73 | RAB9A (0.54) | PARP10CYP1A2ALDH1A1RAB9ANPC1 | |
| Pyridine Acetamide SCHEMBL5709841 | 0.72 | RAB9A (0.53) | PARP10CYP1A2ALDH1A1RAB9ANPC1 | |
| Pyridine Acetamide SCHEMBL7432558 | 0.72 | RAB9A (0.53) | PARP10CYP1A2ALDH1A1RAB9ANPC1 |
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-107690433-B | Heteroaryl derivative or pharmaceutically acceptable salt thereof, preparation method thereof, and pharmaceutical composition for preventing or treating PI3 kinase-associated diseases comprising the same as active ingredient | 韩国化学研究院 | 2021-04-09 | — | — | CN | disclosed |