Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 5/20 | 0.35 |
| ▸ | GHSR | Q92847 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | TACR1 | P25103 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6343378 | 0.77 | OPRK1 (0.59) | OPRK1GHSRHDAC6HDAC1HDAC8 | |
| SCHEMBL1714279 | 0.77 | OPRK1 (0.59) | OPRK1GHSRHDAC6HDAC1HDAC8 | |
| SCHEMBL334581 | 0.77 | OPRK1 (0.59) | OPRK1GHSRHDAC6HDAC1HDAC8 | |
| SCHEMBL9185119 | 0.77 | ALDH1A1 (0.39) | ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL3172722 | 0.75 | OPRK1 (0.48) | ALDH1A1OPRK1HDAC6HDAC1HDAC8 | |
| SCHEMBL3172734 | 0.75 | OPRK1 (0.48) | ALDH1A1OPRK1HDAC6HDAC1HDAC8 | |
| SCHEMBL4574178 | 0.71 | OPRK1 (0.38) | OPRK1HDAC6HDAC1HDAC8TACR1 | |
| SCHEMBL25427499 | 0.70 | OPRK1 (0.49) | OPRK1GHSRHDAC6HDAC1HDAC8 | |
| SCHEMBL25311222 | 0.70 | OPRK1 (0.49) | OPRK1GHSRHDAC6HDAC1HDAC8 | |
| SCHEMBL8998171 | 0.69 | GBA1 (0.40) | ALDH1A1OPRK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0216744-B1 | THE COMPOUND 1,4-DIISOPROPYL-2,5-DIKETOPIPERAZINE | Monsanto Company (US) | 1991-08-14 | — | — | EP | disclosed |