Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | RAF1 | P04049 | 5/20 | 0.46 |
| ▸ | BRAF | P15056 | 4/20 | 0.46 |
| ▸ | KDR | P35968 | 1/20 | 0.44 |
| ▸ | TEK | Q02763 | 1/20 | 0.44 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | GAK | O14976 | 1/20 | 0.41 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.41 |
| ▸ | COQ8A | Q8NI60 | 1/20 | 0.41 |
| ▸ | NLK | Q9UBE8 | 1/20 | 0.41 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4748017 | 0.99 | ERBB2 (0.52) | ERBB2NPC1RAB9ALMNATP53 | |
| SCHEMBL454957 | 0.86 | PTPN11 (0.50) | NPC1RAB9ALMNATP53SMN1; SMN2 | |
| SCHEMBL455066 | 0.81 | PTPN11 (0.49) | NPC1RAB9ALMNATP53SMN1; SMN2 | |
| SCHEMBL454499 | 0.81 | PTPN11 (0.49) | NPC1RAB9ALMNATP53SMN1; SMN2 | |
| SCHEMBL457291 | 0.78 | ALDH1A1 (0.47) | NPC1RAB9ALMNATP53SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL4785127 | 0.77 | SMN1; SMN2 (0.46) | NPC1RAB9ALMNATP53SMN1; SMN2 | |
| Formic Acid SCHEMBL4786385 | 0.76 | PTPN11 (0.44) | NPC1RAB9ALMNATP53SMN1; SMN2 | |
| SCHEMBL457343 | 0.74 | TP53 (0.52) | NPC1RAB9ALMNATP53SMN1; SMN2 | |
| SCHEMBL78493 | 0.71 | ERBB2 (0.67) | ERBB2RAF1BRAFKDRTEK | |
| SCHEMBL31020579 | 0.70 | PPARG (0.41) | RAF1BRAFKDRGAA |
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-2008117079-A1 | ANTIMICROBIAL COMPOUNDS BASED UPON 4-AMINOQUINOLINE | HELPERBY THERAPEUTICS LIMITED (GB) | 2008-10-02 | — | — | WO | disclosed |