Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2333418 | 0.87 | GAA (0.56) | GAACNR1CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL2332539 | 0.87 | GAA (0.57) | GAACNR1CYP3A4HSD17B10ALDH1A1 | |
| SCHEMBL2332167 | 0.87 | GAA (0.59) | GAACYP2C9CYP2C19CYP3A4KDM4E | |
| SCHEMBL2335905 | 0.86 | GAA (0.46) | GAACNR1CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL2379561 | 0.84 | GAA (0.60) | GAACYP2C9CYP2C19CYP3A4KDM4E | |
| SCHEMBL2337039 | 0.84 | GAA (0.60) | GAACYP2C9CYP2C19CYP3A4KDM4E | |
| SCHEMBL2379425 | 0.84 | GAA (0.60) | GAACYP2C9CYP2C19CYP3A4KDM4E | |
| SCHEMBL2334732 | 0.81 | GAA (0.58) | GAACYP2C9CYP2C19CYP3A4KDM4E | |
| SCHEMBL2338073 | 0.80 | GAA (0.54) | GAACNR1CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL2334887 | 0.80 | CYP2C9 (0.52) | GAACYP2C9CYP2C19CYP3A4KDM4E |
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 |