Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM5A | P29375 | 1/20 | 0.38 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | CCR6 | P51684 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6061670 | 0.86 | KDM5A (0.39) | KDM5AKDM5BNPC1RAB9AALOX5 | |
| SCHEMBL6061617 | 0.81 | NPC1 (0.36) | KDM5AKDM5BNPC1RAB9AALOX5 | |
| SCHEMBL4761738 | 0.80 | KDM5A (0.52) | KDM5AKDM5BNPC1RAB9AALOX5 | |
| SCHEMBL27667170 | 0.77 | BTK (0.33) | KDM4EMEN1KMT2A | |
| SCHEMBL6061201 | 0.76 | NPC1 (0.37) | KDM5AKDM5BNPC1RAB9AALOX5 | |
| SCHEMBL6061268 | 0.73 | GAA (0.37) | KDM5AKDM5BNPC1RAB9AALOX5 | |
| SCHEMBL6061157 | 0.72 | ALOX5 (0.37) | KDM5AKDM5BNPC1RAB9AALOX5 | |
| SCHEMBL5545516 | 0.71 | KDM5A (0.47) | KDM5AKDM5BALOX5ALDH1A1KDM4E | |
| SCHEMBL27686061 | 0.71 | TDP1 (0.36) | — | |
| SCHEMBL18584559 | 0.71 | KDM5A (0.57) | KDM5AKDM5BNPC1RAB9AALOX5 |
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 |