Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | KCNA5 | P22460 | 4/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | NAAA | Q02083 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9959242 | 0.99 | KMT2A (0.54) | KMT2AMEN1ASAH1MAPTGSK3B | |
| SCHEMBL10153662 | 0.99 | KMT2A (0.54) | KMT2AMEN1ASAH1MAPTGSK3B | |
| SCHEMBL9952669 | 0.99 | KMT2A (0.54) | KMT2AMEN1ASAH1MAPTGSK3B | |
| SCHEMBL9959705 | 0.99 | KMT2A (0.54) | KMT2AMEN1ASAH1MAPTGSK3B | |
| SCHEMBL9952553 | 0.99 | KMT2A (0.54) | KMT2AMEN1ASAH1MAPTGSK3B | |
| SCHEMBL10153314 | 0.96 | KMT2A (0.54) | KMT2AMEN1ASAH1MAPTGSK3B | |
| SCHEMBL10153604 | 0.91 | KCNA5 (0.47) | KMT2AMEN1ASAH1MAPTKCNA5 | |
| SCHEMBL9958620 | 0.86 | DRD2 (0.44) | KMT2AMEN1MAPTKCNA5KCNH2 | |
| SCHEMBL10154063 | 0.80 | KMT2A (0.47) | KMT2AMEN1ASAH1MAPTGSK3B | |
| SCHEMBL9959738 | 0.80 | KMT2A (0.47) | KMT2AMEN1ASAH1MAPTGSK3B |
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 |