Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 5/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.38 |
| ▸ | KCNA5 | P22460 | 4/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.38 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.34 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | PRCP | P42785 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.34 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1259047 | 1.00 | KCNH2 (0.38) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL20195364 | 0.98 | KCNH2 (0.35) | KCNH2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8698034 | 0.89 | SIGMAR1 (0.31) | SIGMAR1MEN1KMT2A | |
| SCHEMBL9978566 | 0.81 | LMNA (0.35) | CYP3A4CYP2C9CYP2C19HPGDLMNA | |
| SCHEMBL4248501 | 0.81 | LMNA (0.35) | CYP3A4CYP2C9CYP2C19HPGDLMNA | |
| SCHEMBL6677443 | 0.79 | LMNA (0.45) | CYP2C9CYP2C19SIGMAR1LMNAMEN1 | |
| SCHEMBL22643223 | 0.79 | HPGD (0.36) | HPGDSIGMAR1LMNAALDH1A1 | |
| SCHEMBL12169282 | 0.79 | KMT2A (0.39) | CYP3A4HPGDMEN1ALDH1A1GLA | |
| SCHEMBL14538645 | 0.79 | KMT2A (0.39) | CYP3A4HPGDMEN1ALDH1A1GLA | |
| SCHEMBL3779703 | 0.78 | RECQL (0.31) | — |
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-2019079706-A1 | AMINOGLYCOSIDE ANTIBIOTICS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2019-04-25 | — | — | WO | disclosed |