Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.56 |
| ▸ | NPC1 | O15118 | 5/20 | 0.56 |
| ▸ | RAB9A | P51151 | 5/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | GRM4 | Q14833 | 15/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.54 |
| ▸ | PKM | P14618 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | MITF | O75030 | 1/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.48 |
| ▸ | RELA | Q04206 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL10153987 | 0.86 | NPC1 (0.44) | SMN1; SMN2NPC1RAB9AKDM4EGRM4 | |
| SCHEMBL10153281 | 0.83 | SMN1; SMN2 (0.59) | SMN1; SMN2NPC1RAB9AKDM4EMAPT | |
| SCHEMBL9961071 | 0.79 | SMN1; SMN2 (0.57) | SMN1; SMN2NPC1RAB9AKDM4EPKM | |
| SCHEMBL1657250 | 0.78 | GRM4 (0.67) | SMN1; SMN2NPC1RAB9AKDM4EGRM4 | |
| SCHEMBL4311315 | 0.74 | SMN1; SMN2 (0.71) | SMN1; SMN2NPC1RAB9AKDM4EGRM4 | |
| SCHEMBL11446166 | 0.72 | POLB (0.60) | SMN1; SMN2NPC1RAB9AKDM4EHDAC6 | |
| SCHEMBL10153655 | 0.71 | ABL1 (0.53) | SMN1; SMN2NPC1RAB9AKDM4EMAPT | |
| SCHEMBL10153648 | 0.71 | ALDH1A1 (0.59) | SMN1; SMN2NPC1RAB9AKDM4EMAPT | |
| SCHEMBL7990375 | 0.70 | KDR (0.84) | SMN1; SMN2NPC1RAB9AKDM4EGRM4 | |
| SCHEMBL23705777 | 0.70 | GRM4 (1.00) | SMN1; SMN2NPC1RAB9AKDM4EGRM4 |
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 |