Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 5/20 | 0.42 |
| ▸ | PARP1 | P09874 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19634745 | 0.81 | PARP1 (0.59) | CHRM3PARP1CYP2C9CYP2C19HSD17B10 | |
| SCHEMBL19634814 | 0.80 | CHRM3 (0.46) | CHRM3ROCK2 | |
| SCHEMBL23471125 | 0.79 | CYP2C19 (0.65) | PARP1CYP2C9CYP2C19 | |
| SCHEMBL23471112 | 0.79 | CHRM3 (0.61) | CHRM3PARP1 | |
| SCHEMBL19634727 | 0.77 | TMEM97 (0.38) | CHRM3PARP1CYP2C9CYP2C19TMEM97 | |
| SCHEMBL23471004 | 0.77 | PARP1 (0.48) | CHRM3PARP1CYP2C9CYP2C19HSD17B10 | |
| SCHEMBL23471126 | 0.77 | PARP1 (0.48) | PARP1CYP2C9TMEM97HSD17B10 | |
| SCHEMBL21015957 | 0.74 | CYP2C9 (0.46) | CHRM3PARP1CYP2C9CYP2C19TMEM97 | |
| SCHEMBL16380331 | 0.73 | ROCK2 (0.53) | CYP2C9HSD17B10ROCK2 | |
| SCHEMBL19634640 | 0.72 | LMNA (0.53) | PARP1MAPTMEN1KMT2A |
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-3831841-A1 | NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF | S&T Global Inc. (US) | 2021-06-09 | — | — | EP | disclosed |