Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | PRCP | P42785 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | KCNA5 | P22460 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | PSMB1 | P20618 | 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 | |
|---|---|---|---|---|
| SCHEMBL10153579 | 0.99 | KMT2A (0.47) | KMT2AMEN1ASAH1MAPTSMN1; SMN2 | |
| SCHEMBL9959738 | 0.99 | KMT2A (0.47) | KMT2AMEN1ASAH1MAPTSMN1; SMN2 | |
| SCHEMBL9959019 | 0.99 | KMT2A (0.47) | KMT2AMEN1ASAH1MAPTSMN1; SMN2 | |
| SCHEMBL9958882 | 0.97 | KMT2A (0.46) | KMT2AMEN1ASAH1MAPTSMN1; SMN2 | |
| SCHEMBL10153642 | 0.93 | KCNA5 (0.42) | KMT2AMEN1MAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL9959312 | 0.89 | DRD2 (0.41) | KMT2AMEN1ASAH1MAPTSMN1; SMN2 | |
| SCHEMBL9959313 | 0.85 | KCNA5 (0.48) | KMT2AMEN1MAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL10153971 | 0.83 | POLB (0.50) | KMT2AMEN1MAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL9959297 | 0.82 | HDAC4 (0.49) | KMT2AMEN1MAPTALDH1A1KCNA5 | |
| SCHEMBL10153600 | 0.82 | MAPT (0.44) | KMT2AMEN1MAPTSMN1; SMN2ALDH1A1 |
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 |