Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | SRC | P12931 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 3/20 | 0.39 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.34 |
| ▸ | REN | P00797 | 1/20 | 0.34 |
| ▸ | AKT1 | P31749 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | IFNAR1 | P17181 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9358469 | 0.81 | SRC (0.49) | ADORA2AADORA1SRCPARP1SLC13A5 | |
| SCHEMBL31310576 | 0.81 | SRC (0.49) | ADORA2AADORA1SRCPARP1SLC13A5 | |
| SCHEMBL10911692 | 0.79 | SRC (0.43) | ADORA2AADORA1SRCSLC13A5REN | |
| SCHEMBL30487798 | 0.78 | SRC (0.49) | ADORA2AADORA1SRCSLC13A5REN | |
| SCHEMBL9012495 | 0.78 | SRC (0.49) | ADORA2AADORA1SRCSLC13A5REN | |
| SCHEMBL5542213 | 0.77 | SRC (0.42) | ADORA2AADORA1SRCSLC13A5REN | |
| SCHEMBL5542208 | 0.77 | SRC (0.49) | ADORA2AADORA1SRCPARP1SLC13A5 | |
| SCHEMBL2093703 | 0.75 | SRC (0.40) | ADORA2AADORA1SRCSLC13A5REN | |
| SCHEMBL28028253 | 0.75 | SRC (0.45) | ADORA2AADORA1SRCPARP1SLC13A5 | |
| SCHEMBL28690726 | 0.73 | IAPP (0.45) | ADORA2AADORA1SRCSLC13A5AKT1 |
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-2020063760-A1 | NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS | JACOBIO PHARMACEUTICALS CO., LTD. (CN) | 2020-04-02 | — | — | WO | disclosed |