Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | JAK2 | O60674 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | PLK4 | O00444 | 1/20 | 0.30 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.30 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.30 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.30 |
| ▸ | MAP4K4 | O95819 | 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 | |
|---|---|---|---|---|
| SCHEMBL16623603 | 0.89 | PARP1 (0.36) | PARP1ALDH2BRD4JAK2CDK1 | |
| SCHEMBL16623485 | 0.83 | PARP1 (0.37) | PARP1BRD4MEN1RAB9AKMT2A | |
| SCHEMBL17849239 | 0.82 | HDAC1 (0.46) | PARP1EGFRPOLBALDH1A1SMN1; SMN2 | |
| SCHEMBL16623511 | 0.81 | TYK2 (0.38) | PARP1MAPK1JAK2AURKB | |
| SCHEMBL16623558 | 0.80 | PARP1 (0.34) | PARP1 | |
| SCHEMBL16623601 | 0.78 | PRSS1 (0.37) | PTGS2ALDH2EGFRCDK8 | |
| SCHEMBL16623453 | 0.78 | EGFR (0.31) | PARP1PTGS2EGFR | |
| SCHEMBL16623562 | 0.77 | LOXL2 (0.39) | ALDH2EGFRCDK8 | |
| SCHEMBL18052621 | 0.77 | BRD4 (0.34) | PARP1EGFRBRD4 | |
| SCHEMBL17849229 | 0.77 | F10 (0.35) | PTGS2ALDH2EGFR |
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-2857400-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2015-04-08 | — | — | EP | disclosed |