Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.59 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.58 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.56 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | RAD52 | P43351 | 1/20 | 0.51 |
| ▸ | BRD4 | O60885 | 1/20 | 0.51 |
| ▸ | DRD4 | P21917 | 4/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL23471004 | 0.89 | PARP1 (0.48) | PARP1CHRM3HSD17B10DRD4CYP2C9 | |
| SCHEMBL23471125 | 0.88 | CYP2C19 (0.65) | PARP1CYP2C9CYP2C19POLB | |
| SCHEMBL23471112 | 0.88 | CHRM3 (0.61) | PARP1CHRM3 | |
| SCHEMBL19634823 | 0.87 | CHRM3 (0.55) | PARP1CHRM3HDAC2HDAC8HDAC6 | |
| SCHEMBL19634416 | 0.85 | HDAC6 (0.69) | HDAC2HDAC8HDAC6CYP2C9MAPT | |
| SCHEMBL19634640 | 0.83 | LMNA (0.53) | PARP1MAPT | |
| SCHEMBL23471111 | 0.81 | CHRM3 (0.42) | PARP1CHRM3HSD17B10DRD4CYP2C9 | |
| SCHEMBL13060855 | 0.80 | CHRM3 (0.57) | PARP1CHRM3HDAC2HDAC8HDAC6 | |
| SCHEMBL23471126 | 0.80 | PARP1 (0.48) | PARP1HSD17B10CYP2C9POLB | |
| SCHEMBL16380331 | 0.79 | ROCK2 (0.53) | HDAC2HDAC8HDAC6HSD17B10BRD4 |
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 2 patents. 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 |
| WO-2017200984-A1 | NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF | S&T GLOBAL INC. (US) | 2017-11-23 | — | — | WO | disclosed |