Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | GLA | P06280 | 2/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CCKBR | P32239 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2330836 | 0.95 | GAA (0.58) | GAATSHRCYP2C9CYP2C19NPC1 | |
| SCHEMBL2332755 | 0.93 | GAA (0.58) | GAACYP2C9CYP2C19NPC1ALDH1A1 | |
| SCHEMBL2379425 | 0.87 | GAA (0.60) | GAATSHRCYP2C9CYP2C19NPC1 | |
| SCHEMBL2379561 | 0.87 | GAA (0.60) | GAATSHRCYP2C9CYP2C19NPC1 | |
| SCHEMBL2337755 | 0.87 | GAA (0.60) | GAATSHRCYP2C9CYP2C19NPC1 | |
| SCHEMBL2337039 | 0.87 | GAA (0.60) | GAATSHRCYP2C9CYP2C19NPC1 | |
| SCHEMBL2330293 | 0.85 | GAA (0.59) | GAACYP2C9CYP2C19NPC1ALDH1A1 | |
| SCHEMBL2336299 | 0.85 | GAA (0.60) | GAACYP2C9CYP2C19NPC1ALDH1A1 | |
| SCHEMBL2334732 | 0.85 | GAA (0.58) | GAATSHRCYP2C9CYP2C19NPC1 | |
| SCHEMBL2337765 | 0.85 | GAA (0.58) | GAATSHRCYP2C9CYP2C19NPC1 |
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-2358682-A2 | ISOQUINOLONE DERIVATIVES AS INHIBITORS OF PLAVIVIRUS REPLICATION | Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) | 2011-08-24 | — | — | EP | disclosed |