Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | ALDH2 | P05091 | 2/20 | 0.37 |
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.37 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | DRD4 | P21917 | 2/20 | 0.36 |
| ▸ | DRD3 | P35462 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9959247 | 0.87 | ALDH1A1 (0.42) | ALDH1A1USP2MEN1MAPTKMT2A | |
| SCHEMBL10153305 | 0.87 | MEN1 (0.46) | ALDH1A1ALDH2ALDH3A1PTGER1CYP2C9 | |
| SCHEMBL9960564 | 0.87 | TRPA1 (0.38) | ALDH1A1LMNAMEN1MAPTKMT2A | |
| SCHEMBL9958850 | 0.87 | MEN1 (0.43) | ALDH1A1CYP2C9MEN1MAPTKMT2A | |
| SCHEMBL9959325 | 0.85 | APP (0.42) | ALDH1A1LMNAMEN1MAPTKMT2A | |
| SCHEMBL10153594 | 0.85 | ACHE (0.45) | ALDH1A1PTGER1LMNAMEN1MAPT | |
| SCHEMBL10153293 | 0.83 | ACHE (0.45) | USP2MEN1MAPTKMT2A | |
| SCHEMBL9959735 | 0.82 | KMT2A (0.33) | ALDH1A1CYP2C9MEN1MAPTKMT2A | |
| SCHEMBL10153644 | 0.81 | ALDH1A1 (0.42) | ALDH1A1CYP2C9MAPTGAA | |
| SCHEMBL10153995 | 0.79 | GRM4 (0.44) | MAPTKDM4E |
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 |