Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.52 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.48 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | MITF | O75030 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL13852060 | 1.00 | GPR88 (0.52) | GPR88ROCK2ROCK1MEN1KMT2A | |
| SCHEMBL3182313 | 0.89 | GPR88 (0.49) | GPR88ROCK2ROCK1MEN1KMT2A | |
| SCHEMBL3182322 | 0.89 | GPR88 (0.49) | GPR88ROCK2ROCK1MEN1KMT2A | |
| SCHEMBL20252510 | 0.89 | CTSK (0.48) | GPR88ROCK2ROCK1MEN1KMT2A | |
| SCHEMBL30843529 | 0.88 | L3MBTL1 (0.48) | GPR88MEN1KMT2ALMNAMAPT | |
| SCHEMBL23381886 | 0.88 | GPR88 (0.52) | GPR88ROCK2ROCK1MEN1KMT2A | |
| SCHEMBL24369473 | 0.87 | ALDH1A1 (0.44) | GPR88ROCK2ROCK1HTTSMN1; SMN2 | |
| SCHEMBL7096768 | 0.85 | KMT2A (0.61) | MEN1KMT2ALMNAMAPTMITF | |
| SCHEMBL12666562 | 0.84 | GPR88 (0.52) | GPR88ROCK2ROCK1MEN1KMT2A | |
| SCHEMBL13136011 | 0.82 | GPR88 (0.54) | GPR88ROCK2ROCK1MEN1KMT2A |
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-112469412-A | Substituted dihydropyrazolopyrazine carboxamide derivatives | 拜耳公司 | 2021-03-09 | — | — | CN | disclosed |