Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN4A | P35499 | 10/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.56 |
| ▸ | THPO | P40225 | 1/20 | 0.56 |
| ▸ | SCN8A | Q9UQD0 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | SCN1A | P35498 | 2/20 | 0.54 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.54 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.54 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.54 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.54 |
| ▸ | GBA1 | P04062 | 1/20 | 0.54 |
| ▸ | MAOA | P21397 | 1/20 | 0.54 |
| ▸ | HTR2A | P28223 | 1/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL3400240 | 0.84 | SCN4A (0.49) | SCN4ACYP2D6CYP1A2CYP3A4NFKB1 | |
| SCHEMBL3400079 | 0.83 | SCN4A (0.54) | SCN4ACYP2D6CYP1A2CYP3A4NFKB1 | |
| SCHEMBL18997834 | 0.78 | SCN4A (0.55) | SCN4ACYP2D6CYP1A2CYP3A4NFKB1 | |
| SCHEMBL3402151 | 0.78 | SCN4A (0.47) | SCN4ACYP2D6CYP1A2CYP3A4NFKB1 | |
| SCHEMBL22305220 | 0.77 | TSHR (0.55) | SCN4ACYP2D6CYP1A2CYP3A4NFKB1 | |
| SCHEMBL9120705 | 0.75 | SCN4A (0.49) | SCN4ACYP2D6CYP1A2CYP3A4NFKB1 | |
| SCHEMBL21900646 | 0.75 | SCN4A (0.52) | SCN4ACYP2D6CYP1A2CYP3A4NFKB1 | |
| SCHEMBL3400711 | 0.75 | TDP1 (0.47) | TSHRKCNH2ALDH1A1NPC1 | |
| SCHEMBL3399248 | 0.73 | TSHR (0.64) | SCN4ACYP2D6CYP1A2CYP3A4NFKB1 | |
| SCHEMBL28128242 | 0.73 | SCN4A (0.50) | SCN4ACYP2D6CYP1A2CYP3A4NFKB1 |
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-2247571-A2 | DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE | Uniwersytet Jagiellonski (PL) | 2010-11-10 | — | — | EP | claimed |
| WO-2009093916-A2 | DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING AMINOALKANOLS AND THEIR USE | UNIWERSYTET JAGIELLONSKI (PL) | 2009-07-30 | — | — | WO | claimed |