Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 7/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9959297 | 0.84 | HDAC4 (0.49) | TSHRALDH1A1GAAL3MBTL1CYP2C9 | |
| SCHEMBL10153637 | 0.83 | KCNA5 (0.42) | TSHRALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9959313 | 0.82 | KCNA5 (0.48) | ALDH1A1MAPT | |
| SCHEMBL11787179 | 0.81 | MEN1 (0.47) | TSHRALDH1A1GAAHTTL3MBTL1 | |
| SCHEMBL9960452 | 0.81 | KCNA5 (0.46) | MAPT | |
| SCHEMBL9958850 | 0.80 | MEN1 (0.43) | TSHRALDH1A1GAAHTTL3MBTL1 | |
| SCHEMBL10153642 | 0.80 | KCNA5 (0.42) | TSHRALDH1A1TP53CYP2C19NPSR1 | |
| SCHEMBL9952002 | 0.79 | MEN1 (0.45) | TSHRALDH1A1GAAL3MBTL1CYP2C9 | |
| SCHEMBL10153968 | 0.79 | FAAH (0.39) | ALDH1A1MAPT | |
| SCHEMBL10153632 | 0.78 | PREP (0.45) | TSHRALDH1A1TP53NPSR1MAPT |
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-2012085003-A1 | 2-HYDROXYISOQUINOLINE-1,3(2H,4H)-DIONES AND RELATED COMPOUNDS USEFUL AS HIV REPLICATION INHIBITORS | KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) | 2012-06-28 | — | — | WO | disclosed |