Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.68 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.68 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.68 |
| ▸ | POLB | P06746 | 3/20 | 0.67 |
| ▸ | BLM | P54132 | 2/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.67 |
| ▸ | THRB | P10828 | 1/20 | 0.67 |
| ▸ | ATM | Q13315 | 1/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.67 |
| ▸ | LMNA | P02545 | 2/20 | 0.65 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.65 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.65 |
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | ACHE | P22303 | 1/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.65 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.63 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.59 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.59 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL19634687 | 0.87 | LMNA (0.63) | ALDH1A1NFKB1KCNH2POLBBLM | |
| SCHEMBL23470991 | 0.85 | HDAC1 (0.62) | ALDH1A1POLBSMN1; SMN2HDAC1HDAC6 | |
| SCHEMBL12845484 | 0.85 | LMNA (0.72) | ALDH1A1NFKB1KCNH2POLBBLM | |
| SCHEMBL21015209 | 0.85 | HDAC6 (0.62) | ALDH1A1NFKB1KCNH2POLBBLM | |
| SCHEMBL23471351 | 0.84 | ALDH1A1 (0.55) | ALDH1A1NFKB1KCNH2POLBBLM | |
| SCHEMBL19634425 | 0.82 | ALDH1A1 (0.73) | ALDH1A1NFKB1KCNH2POLBBLM | |
| Acecainide SCHEMBL156943 | 0.81 | ALDH1A1 (1.00) | ALDH1A1NFKB1KCNH2POLBBLM | |
| SCHEMBL10195011 | 0.80 | LMNA (0.74) | ALDH1A1NFKB1KCNH2POLBBLM | |
| SCHEMBL9254351 | 0.80 | ALDH1A1 (0.74) | ALDH1A1NFKB1KCNH2POLBBLM | |
| SCHEMBL19634415 | 0.80 | HDAC1 (0.68) | ALDH1A1POLBHDAC1HDAC6HDAC3 |
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 |