Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 5/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | PIM2 | Q9P1W9 | 6/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.33 |
| ▸ | TOP2A | P11388 | 1/20 | 0.32 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.32 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | CLK2 | P49760 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21783241 | 0.86 | KCNH2 (0.50) | KCNH2CYP3A4GSK3BKDM4EALDH1A1 | |
| SCHEMBL21783240 | 0.85 | KCNH2 (0.42) | KCNH2CYP3A4PIM2GSK3BKDM4E | |
| SCHEMBL21783296 | 0.84 | KCNH2 (0.50) | KCNH2CYP3A4GSK3BKDM4EALDH1A1 | |
| SCHEMBL13866591 | 0.80 | KCNH2 (0.56) | KCNH2CYP3A4GSK3BKDM4EALDH1A1 | |
| Nemonoxacin SCHEMBL2106812 | 0.78 | KCNH2 (0.66) | KCNH2CYP3A4GSK3BKDM4EALDH1A1 | |
| Nemonoxacin SCHEMBL1006373 | 0.78 | KCNH2 (0.66) | KCNH2CYP3A4GSK3BKDM4EALDH1A1 | |
| Nemonoxacin SCHEMBL31574403 | 0.78 | KCNH2 (0.66) | KCNH2CYP3A4GSK3BKDM4EALDH1A1 | |
| SCHEMBL2601623 | 0.78 | KCNH2 (0.59) | KCNH2CYP3A4GSK3BKDM4EALDH1A1 | |
| Nemonoxacin SCHEMBL14381001 | 0.78 | KCNH2 (0.66) | KCNH2CYP3A4GSK3BKDM4EALDH1A1 | |
| Nemonoxacin SCHEMBL31574404 | 0.78 | KCNH2 (0.66) | KCNH2CYP3A4GSK3BKDM4EALDH1A1 |
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-2020014269-A9 | BISPHOSPHONATE QUINOLONE CONJUGATES AND USES THEREOF | BIOVINC, LLC. (US) | 2020-03-05 | — | — | WO | disclosed |