Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CACNA1G | O43497 | 8/20 | 0.56 |
| ▸ | ERN1 | O75460 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | SUV39H1 | O43463 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2457432 | 0.97 | ALDH1A1 (0.56) | PARP1CYP1A2CYP2D6CYP2C9CACNA1G | |
| SCHEMBL5103023 | 0.88 | CYP2C19 (0.66) | PARP1CYP1A2CYP2D6CYP2C9ERN1 | |
| SCHEMBL19634712 | 0.88 | HASPIN (0.58) | PARP1CYP2C9SUV39H1 | |
| SCHEMBL13675357 | 0.87 | PARP1 (0.58) | PARP1CYP1A2CYP2D6CYP2C9CACNA1G | |
| SCHEMBL19634394 | 0.87 | CYP1A2 (0.70) | CYP1A2CYP2D6CYP2C9CACNA1GHPGD | |
| SCHEMBL12334148 | 0.86 | NPSR1 (0.58) | PARP1CYP1A2CYP2D6CYP2C9CACNA1G | |
| SCHEMBL19634725 | 0.84 | HSD17B10 (0.50) | PARP1CYP1A2CYP2D6CYP2C9POLB | |
| SCHEMBL14048045 | 0.84 | CYP1A2 (0.59) | CYP1A2CYP2D6CYP2C9CACNA1GERN1 | |
| Hydrochloric Acid SCHEMBL2464026 | 0.84 | ALDH1A1 (0.70) | CYP1A2CYP2D6CYP2C9CACNA1GHPGD | |
| SCHEMBL4572856 | 0.83 | CYP2C9 (0.57) | CYP1A2CYP2D6CYP2C9ERN1HPGD |
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-2017200984-A1 | NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF | S&T GLOBAL INC. (US) | 2017-11-23 | — | — | WO | disclosed |