Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 1/20 | 0.55 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.49 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.49 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.41 |
| ▸ | METAP2 | P50579 | 2/20 | 0.41 |
| ▸ | PARP1 | P09874 | 2/20 | 0.40 |
| ▸ | ELANE | P08246 | 1/20 | 0.40 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | ERN1 | O75460 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17084991 | 0.79 | MAOA (0.44) | GPR3OPRM1OPRD1UHRF1ALDH1A1 | |
| Marinoquinoline A SCHEMBL15188904 | 0.73 | GPR3 (0.57) | GPR3OPRM1OPRD1UHRF1ALDH1A1 | |
| SCHEMBL85621 | 0.72 | GPR3 (1.00) | GPR3OPRM1ALDH1A1HSD17B10CYP1A2 | |
| Hydrochloric Acid SCHEMBL3907848 | 0.70 | GPR3 (0.95) | GPR3ALDH1A1HSD17B10CYP1A2HPGD | |
| SCHEMBL28588653 | 0.69 | GPR3 (0.69) | GPR3OPRM1OPRD1UHRF1ALDH1A1 | |
| SCHEMBL10594464 | 0.69 | TRPA1 (0.46) | ALDH1A1HSD17B10CYP1A2MAPTMETAP2 | |
| SCHEMBL14323968 | 0.68 | MEN1 (0.43) | ALDH1A1HPGDMAPK1 | |
| SCHEMBL4944696 | 0.68 | TNKS2 (0.51) | GPR3OPRM1OPRD1UHRF1ALDH1A1 | |
| SCHEMBL325731 | 0.67 | KDM4E (0.53) | GPR3ALDH1A1HSD17B10METAP2PARP1 | |
| SCHEMBL21287361 | 0.67 | GPR3 (0.59) | GPR3OPRM1OPRD1UHRF1ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2588457-A1 | PYRAZOLO-QUINOLINES | Merck Patent GmbH (DE) | 2013-05-08 | — | — | EP | disclosed |
| WO-2012000632-A1 | PYRAZOLO-QUINOLINES | MERCK PATENT GMBH (DE) | 2012-01-05 | — | — | WO | disclosed |