Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | KCNJ6 | P48051 | 2/20 | 0.46 |
| ▸ | KCNJ5 | P48544 | 2/20 | 0.46 |
| ▸ | KCNJ3 | P48549 | 2/20 | 0.46 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2923609 | 0.88 | ALDH1A1 (0.50) | ALDH1A1GAASMN1; SMN2POLBKCNJ6 | |
| SCHEMBL15518413 | 0.88 | ALDH1A1 (0.50) | ALDH1A1GAASMN1; SMN2POLBSCN9A | |
| SCHEMBL20503042 | 0.87 | ALDH1A1 (0.55) | ALDH1A1GAAPOLBSCN9AMAPT | |
| SCHEMBL15517487 | 0.86 | ALDH1A1 (0.48) | ALDH1A1GAASMN1; SMN2POLBSCN9A | |
| SCHEMBL2926900 | 0.85 | ALDH1A1 (0.47) | ALDH1A1GAASMN1; SMN2POLBSCN9A | |
| SCHEMBL15516834 | 0.83 | ALDH1A1 (0.45) | ALDH1A1GAASMN1; SMN2POLBNPC1 | |
| SCHEMBL16749217 | 0.81 | GRN (0.53) | ALDH1A1GAASMN1; SMN2POLBNPC1 | |
| SCHEMBL4431724 | 0.81 | SLC5A1 (0.53) | ALDH1A1GAASMN1; SMN2POLBNPC1 | |
| SCHEMBL19994228 | 0.79 | LMNA (0.55) | ALDH1A1GAASMN1; SMN2POLBMAPT | |
| SCHEMBL6414140 | 0.79 | ALDH1A1 (0.53) | ALDH1A1GAASMN1; SMN2POLBMAPT |
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-3596067-B1 | PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS | FONDAZIONE ST ITALIANO TECNOLOGIA (IT) | 2023-06-07 | — | — | EP | disclosed |