Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM5A | P29375 | 1/20 | 0.47 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | RNASEH1 | O60930 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.42 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8802643 | 0.80 | KDM4E (0.59) | KDM5AKDM5BKMT2AALDH1A1GAA | |
| SCHEMBL8802964 | 0.78 | KDM5A (0.55) | KDM5AKDM5BKMT2AALDH1A1GAA | |
| SCHEMBL1063233 | 0.76 | KDM5A (0.62) | KDM5AKDM5BKMT2AALOX5ALDH1A1 | |
| Propane SCHEMBL11482617 | 0.76 | ALDH1A1 (0.51) | KDM5AKDM5BNPC1RAB9AALDH1A1 | |
| SCHEMBL2582029 | 0.75 | KDM5A (0.52) | KDM5AKDM5BKMT2AALOX5ALDH1A1 | |
| SCHEMBL4130608 | 0.73 | KDM4E (0.50) | NPC1RAB9AKMT2AALDH1A1GAA | |
| SCHEMBL5309082 | 0.73 | KDM5A (0.58) | KDM5AKDM5BGABRA1GABRA3 | |
| SCHEMBL1058188 | 0.71 | KDM5A (0.68) | KDM5AKDM5BRAB9AKMT2AALDH1A1 | |
| SCHEMBL5370441 | 0.70 | PKM (0.44) | NPC1RAB9AADORA2AADORA1ALDH1A1 | |
| SCHEMBL25446821 | 0.70 | ALOX5 (0.42) | KDM5AKDM5BNPC1RAB9AKMT2A |
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-2044068-A1 | 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS | Merck & Co., Inc. (US) | 2009-04-08 | — | — | EP | disclosed |
| WO-2008010964-A1 | 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS | MERCK & CO., INC. (US) | 2008-01-24 | — | — | WO | disclosed |