Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.61 |
| ▸ | RAB9A | P51151 | 2/20 | 0.61 |
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.60 |
| ▸ | GAA | P10253 | 3/20 | 0.58 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.51 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | PPARG | P37231 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL27873799 | 0.89 | ADORA3 (0.66) | NPC1RAB9AABCG2GAAADORA3 | |
| SCHEMBL26784631 | 0.78 | AURKB (0.68) | NPC1RAB9AABCG2GAAADORA3 | |
| Hydrochloric Acid SCHEMBL8808339 | 0.77 | AURKB (0.67) | NPC1RAB9AABCG2GAAADORA3 | |
| SCHEMBL4745458 | 0.76 | ADORA3 (0.65) | NPC1RAB9AABCG2GAAADORA3 | |
| SCHEMBL28645156 | 0.76 | ADORA3 (0.65) | NPC1RAB9AABCG2GAAADORA3 | |
| SCHEMBL31004010 | 0.76 | ADORA3 (0.65) | NPC1RAB9AABCG2GAAADORA3 | |
| SCHEMBL27793599 | 0.76 | KDR (0.65) | EGFRMAPK14AURKB | |
| SCHEMBL29894633 | 0.75 | ABCG2 (1.00) | NPC1RAB9AABCG2GAALMNA | |
| SCHEMBL4478882 | 0.75 | ABCG2 (1.00) | NPC1RAB9AABCG2GAALMNA | |
| Hydrochloric Acid SCHEMBL8810503 | 0.75 | AURKB (0.66) | NPC1RAB9AABCG2GAAADORA3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1832941-A | Halogenated quinazolinyl nitrofurans as antibacterial agents | ULYSSES PHARMACEUTICAL PRODUCT (CA) | 2006-09-13 | — | — | CN | disclosed |