Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.55 |
| ▸ | HPGD | P15428 | 6/20 | 0.55 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.52 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.52 |
| ▸ | GSK3B | P49841 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | MGAM | O43451 | 1/20 | 0.50 |
| ▸ | SI | P14410 | 1/20 | 0.50 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | OXER1 | Q8TDS5 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CTSV | O60911 | 1/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9268276 | 0.77 | OXER1 (0.62) | ALDH1A1KDM4EHPGDOXER1MEN1 | |
| SCHEMBL9572914 | 0.77 | KDM4E (0.50) | ALDH1A1KDM4EHSD17B10HPGDGABRA1 | |
| SCHEMBL15512501 | 0.77 | OXER1 (0.62) | ALDH1A1KDM4EHPGDOXER1MEN1 | |
| SCHEMBL26993708 | 0.77 | KDM4E (0.63) | ALDH1A1KDM4EHSD17B10HPGDGSK3B | |
| SCHEMBL130919 | 0.77 | KDM4E (0.63) | ALDH1A1KDM4EHSD17B10HPGDGSK3B | |
| SCHEMBL17022468 | 0.77 | OXER1 (0.62) | ALDH1A1KDM4EHSD17B10HPGDGSK3B | |
| SCHEMBL301567 | 0.77 | KDM4E (0.63) | ALDH1A1KDM4EHSD17B10HPGDGSK3B | |
| SCHEMBL16237897 | 0.77 | KDM4E (0.63) | ALDH1A1KDM4EHSD17B10HPGDGSK3B | |
| SCHEMBL29365383 | 0.77 | KDM4E (0.63) | ALDH1A1KDM4EHSD17B10HPGDGSK3B | |
| Acridone SCHEMBL28159674 | 0.76 | KDM4E (0.69) | ALDH1A1KDM4EHSD17B10HPGDGAA |
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-2014184535-A1 | ALKYL QUINOLONES AS BIOMARKERS OF PSEUDOMONAS AERUGINOSA INFECTION AND USES THEREOF | THE UNIVERSITY OF NOTTINGHAM (GB) | 2014-11-20 | — | — | WO | disclosed |