Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.62 |
| ▸ | GAA | P10253 | 1/20 | 0.62 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.57 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.53 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.53 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.53 |
| ▸ | CES2 | O00748 | 1/20 | 0.53 |
| ▸ | CES1 | P23141 | 1/20 | 0.53 |
| ▸ | EGFR | P00533 | 1/20 | 0.53 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL8378738 | 1.00 | HPGD (0.62) | HPGDGAAHDAC1HDAC6ALDH1A1 | |
| SCHEMBL8374583 | 1.00 | HPGD (0.62) | HPGDGAAHDAC1HDAC6ALDH1A1 | |
| SCHEMBL18274820 | 1.00 | HPGD (0.62) | HPGDGAAHDAC1HDAC6ALDH1A1 | |
| SCHEMBL10925719 | 0.94 | HPGD (0.56) | HPGDGAAHDAC1HDAC6ALDH1A1 | |
| SCHEMBL1004032 | 0.93 | HPGD (0.71) | HPGDGAAHDAC1HDAC6ALDH1A1 | |
| SCHEMBL6919327 | 0.91 | HPGD (0.74) | HPGDGAAHDAC1HDAC6ALDH1A1 | |
| SCHEMBL10725111 | 0.91 | EGFR (0.61) | HPGDGAAHDAC1HDAC6EGFR | |
| SCHEMBL10758915 | 0.91 | EGFR (0.61) | HPGDGAAHDAC1HDAC6EGFR | |
| SCHEMBL10759435 | 0.91 | EGFR (0.61) | HPGDGAAHDAC1HDAC6EGFR | |
| SCHEMBL3807639 | 0.90 | HDAC1 (0.67) | HPGDGAAHDAC1HDAC6HDAC3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109336952-B | Novel nuclear magnetic contrast lipid capable of being released under light control and preparation method thereof | 大连理工大学 | 2020-09-29 | — | — | CN | disclosed |
| CN-105833791-B | Surfactant containing o-nitrobenzyl ester photodegradation group and preparation method thereof | 大连理工大学 | 2017-10-24 | — | — | CN | disclosed |
| EP-0262953-A2 | Heat-sensitive recording material | FUJI PHOTO FILM CO., LTD. (JP) | 1988-04-06 | — | — | EP | disclosed |