Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2336123 | 0.88 | GAA (0.58) | GAACYP2C9CYP2C19TSHRALDH1A1 | |
| SCHEMBL2340366 | 0.88 | GAA (0.58) | GAACYP2C9CYP2C19TSHRALDH1A1 | |
| SCHEMBL2339155 | 0.88 | GAA (0.58) | GAACYP2C9CYP2C19TSHRALDH1A1 | |
| SCHEMBL2331451 | 0.80 | GAA (0.57) | GAACYP2C9CYP2C19TSHRALDH1A1 | |
| SCHEMBL2333403 | 0.79 | GAA (0.57) | GAACYP2C9CYP2C19TSHRALDH1A1 | |
| SCHEMBL2336662 | 0.79 | GAA (0.59) | GAACYP2C9CYP2C19TSHRALDH1A1 | |
| SCHEMBL2332167 | 0.77 | GAA (0.59) | GAACYP2C9CYP2C19TSHRALDH1A1 | |
| SCHEMBL2333798 | 0.76 | GAA (0.61) | GAACYP2C9CYP2C19TSHRALDH1A1 | |
| SCHEMBL2332031 | 0.76 | GAA (0.60) | GAACYP2C9CYP2C19TSHRALDH1A1 | |
| SCHEMBL2337782 | 0.76 | GAA (0.56) | GAACYP2C9CYP2C19TSHRALDH1A1 |
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 |