Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | ELANE | P08246 | 3/20 | 0.41 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | PLAU | P00749 | 1/20 | 0.39 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13886068 | 0.86 | CNR2 (0.48) | CNR2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9882815 | 0.78 | ALDH1A1 (0.53) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL1244238 | 0.77 | ADORA2A (0.38) | ALDH1A1HSD17B10 | |
| SCHEMBL11152305 | 0.77 | ADORA2A (0.38) | ALDH1A1BCAT1MAPT | |
| SCHEMBL9043723 | 0.76 | ALDH1A1 (0.51) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9041922 | 0.76 | ALDH1A1 (0.51) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL11147011 | 0.76 | CNR2 (0.47) | ELANECNR2MAPT | |
| SCHEMBL14518062 | 0.74 | BCAT1 (0.63) | ALDH1A1ELANEBCAT1F2PLAU | |
| SCHEMBL9041998 | 0.74 | ALDH1A1 (0.49) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9042252 | 0.74 | ALDH1A1 (0.49) | ALDH1A1CNR2PDE4APDE4BPDE4C |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0560604-B1 | Cinnoline-3-carboxylic acid derivatives as 5-HT3 antagonists | MITSUBISHI CHEM CORP (JP) | 1997-01-29 | — | — | EP | disclosed |
| US-5556851-A | TREATMENT OF NAUSEA OR EMESIS FROM ANTICANCER DRUGS OR X-RAY TREATMENT | MITSUBISHI CHEMICAL CORPORATION (JP) | 1996-09-17 | — | — | US | disclosed |
| US-5391549-A | Antagonistifc activity against serotonin 5HT3 receptors | MITSUBISHI KASEI CORPORATION (JP) | 1995-02-21 | — | — | US | disclosed |
| EP-0560604-A1 | Cinnoline-3-carboxylic acid derivatives as 5-HT3 antagonists | Mitsubishi Chemical Corporation (JP) | 1993-09-15 | — | — | EP | disclosed |