Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | CCR6 | P51684 | 1/20 | 0.36 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | KDM5A | P29375 | 1/20 | 0.35 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6061617 | 0.93 | NPC1 (0.36) | NPC1RAB9AALOX5KMT2AKDM4E | |
| SCHEMBL4761738 | 0.76 | KDM5A (0.52) | NPC1RAB9AALOX5KMT2AKDM4E | |
| SCHEMBL6061670 | 0.76 | KDM5A (0.39) | NPC1RAB9AALOX5KMT2AKDM4E | |
| SCHEMBL6061005 | 0.76 | KDM5A (0.38) | NPC1RAB9AALOX5KMT2AKDM4E | |
| SCHEMBL4297249 | 0.74 | KDM5A (0.54) | ALOX5KDM4EMAPTKDM5AKDM5B | |
| SCHEMBL6061157 | 0.72 | ALOX5 (0.37) | NPC1RAB9AALOX5KMT2AKDM4E | |
| SCHEMBL15163676 | 0.71 | BRS3 (0.35) | KMT2AKDM4EMEN1TDP1 | |
| SCHEMBL27666982 | 0.71 | BTK (0.34) | KMT2AKDM4EMEN1TDP1 | |
| SCHEMBL27686061 | 0.71 | TDP1 (0.36) | TDP1 | |
| SCHEMBL6061268 | 0.70 | GAA (0.37) | NPC1RAB9AALOX5KMT2AKDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1720856-A2 | HIV INTEGRASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2006-11-15 | — | — | EP | disclosed |
| WO-2005077050-A2 | HIV INTEGRASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2005-08-25 | — | — | WO | disclosed |