Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM6B | O15054 | 4/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 4/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.35 |
| ▸ | PRCP | P42785 | 2/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 5/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 4/20 | 0.34 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1487592 | 0.83 | MAOA (0.45) | ALDH1A1 | |
| SCHEMBL1009372 | 0.75 | OPRK1 (0.36) | OPRM1OPRK1PRCPALDH1A1SLC22A1 | |
| SCHEMBL1009585 | 0.75 | MAOA (0.45) | ALDH1A1 | |
| SCHEMBL1010701 | 0.70 | ADH5 (0.41) | ALDH1A1 | |
| SCHEMBL8031040 | 0.68 | MAOA (0.46) | KDM4CALDH1A1 | |
| SCHEMBL4020963 | 0.67 | PRCP (0.65) | OPRM1OPRK1PRCPALDH1A1SLC22A1 | |
| SCHEMBL4020702 | 0.67 | PRCP (0.65) | OPRM1OPRK1PRCPALDH1A1SLC22A1 | |
| SCHEMBL1011390 | 0.63 | BRD4 (0.41) | OPRK1ALDH1A1 | |
| SCHEMBL13680699 | 0.61 | HSD17B1 (0.51) | — | |
| SCHEMBL1012313 | 0.61 | MAOA (0.45) | ALDH1A1 |
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-2054416-B1 | SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE | MERZ PHARMA GMBH & CO KGAA (DE) | 2011-01-05 | — | — | EP | disclosed |