Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 3/20 | 0.57 |
| ▸ | IGF1R | P08069 | 1/20 | 0.57 |
| ▸ | HSP90AB1 | P08238 | 4/20 | 0.50 |
| ▸ | BACE1 | P56817 | 2/20 | 0.43 |
| ▸ | SNCA | P37840 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | APEX1 | P27695 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | RAD52 | P43351 | 1/20 | 0.43 |
| ▸ | PLK1 | P53350 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21385686 | 0.81 | DYRK1A (0.54) | DYRK1AIGF1RHSP90AB1BACE1SNCA | |
| SCHEMBL11044983 | 0.80 | HSP90AB1 (0.44) | HSP90AB1KDM4EALDH1A1HSD17B10HPGD | |
| SCHEMBL11045987 | 0.80 | HSP90AB1 (0.44) | HSP90AB1KDM4EALDH1A1HSD17B10HPGD | |
| SCHEMBL11044980 | 0.80 | HSP90AB1 (0.44) | HSP90AB1KDM4EALDH1A1HSD17B10HPGD | |
| SCHEMBL11044986 | 0.80 | HSP90AB1 (0.44) | HSP90AB1KDM4EALDH1A1HSD17B10HPGD | |
| SCHEMBL23867147 | 0.80 | HSP90AB1 (0.44) | HSP90AB1KDM4EALDH1A1HSD17B10HPGD | |
| SCHEMBL11045985 | 0.80 | HSP90AB1 (0.44) | HSP90AB1KDM4EALDH1A1HSD17B10HPGD | |
| SCHEMBL22769206 | 0.75 | BACE1 (0.72) | DYRK1AHSP90AB1BACE1SNCAKDM4E | |
| SCHEMBL12188003 | 0.75 | BACE1 (0.72) | DYRK1AHSP90AB1BACE1SNCAKDM4E | |
| SCHEMBL12379706 | 0.75 | BACE1 (0.72) | DYRK1AHSP90AB1BACE1SNCAKDM4E |
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-2017045060-A1 | COMBINATIONAL THERAPY FOR SYNERGISTIC INHIBITION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA | THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) | 2017-03-23 | — | — | WO | disclosed |