Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 5/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 5/20 | 0.37 |
| ▸ | ADRB3 | P13945 | 4/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15058641 | 0.84 | THRB (0.43) | ADRB2ADRB1ADRB3CYP2D6PTGS1 | |
| SCHEMBL10951609 | 0.81 | GPR84 (0.52) | — | |
| SCHEMBL10950174 | 0.81 | GPR84 (0.52) | — | |
| SCHEMBL20670876 | 0.81 | GPR84 (0.52) | — | |
| SCHEMBL10944896 | 0.81 | GPR84 (0.52) | — | |
| SCHEMBL7352376 | 0.81 | ADRB2 (0.37) | ADRB2ADRB1ADRB3CYP2D6PTGS1 | |
| SCHEMBL10949074 | 0.81 | GPR84 (0.52) | — | |
| SCHEMBL10945464 | 0.81 | GPR84 (0.52) | — | |
| SCHEMBL4685688 | 0.78 | ADRB2 (0.37) | ADRB2ADRB1ADRB3CYP2D6PTGS1 | |
| SCHEMBL15509647 | 0.75 | ADRB2 (0.47) | ADRB2ADRB1ADRB3CYP2D6PTGS1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5652247-A | VASOPRESSIN ANTAGONIST | OTSUKA PHARMACEUTICAL CO., LTD (JP) | 1997-07-29 | — | — | US | disclosed |
| US-5436254-A | Vaopressin antagonists | OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) | 1995-07-25 | — | — | US | disclosed |
| EP-0602209-A1 | OXYTOCIN ANTAGONIST | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-06-22 | — | — | EP | disclosed |
| EP-0382185-B1 | Carbostyril derivatives | OTSUKA PHARMA CO LTD (JP) | 1994-06-15 | — | — | EP | disclosed |
| WO-1994001113-A1 | OXYTOCIN ANTAGONIST | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1994-01-20 | — | — | WO | disclosed |
| US-5225402-A | Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1993-07-06 | — | — | US | disclosed |