Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXA2R | P21731 | 3/20 | 0.57 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.52 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.52 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.52 |
| ▸ | HTR1A | P08908 | 1/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.52 |
| ▸ | DRD1 | P21728 | 1/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.52 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.52 |
| ▸ | DRD3 | P35462 | 1/20 | 0.52 |
| ▸ | DHFR | P00374 | 1/20 | 0.52 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.49 |
| ▸ | DRD2 | P14416 | 2/20 | 0.49 |
| ▸ | HTR7 | P34969 | 2/20 | 0.49 |
| ▸ | BCHE | P06276 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL8982846 | 0.90 | TBXA2R (0.63) | TBXA2RADRB2ADRB1ADRB3HTR1A | |
| SCHEMBL8558905 | 0.89 | TBXA2R (0.59) | TBXA2RADRB2ADRB1ADRB3HTR1A | |
| SCHEMBL8982937 | 0.86 | TBXA2R (0.73) | TBXA2RADRB2ADRB1ADRB3HTR1A | |
| SCHEMBL8982767 | 0.85 | TBXA2R (0.63) | TBXA2RADRB2ADRB1ADRB3HTR1A | |
| SCHEMBL8982903 | 0.85 | TBXA2R (0.52) | TBXA2RADRB2ADRB1ADRB3HTR1A | |
| SCHEMBL8982983 | 0.85 | TBXA2R (0.52) | TBXA2RADRB2ADRB1ADRB3HTR1A | |
| SCHEMBL8982857 | 0.84 | TBXA2R (0.54) | TBXA2RADRB2ADRB1ADRB3HTR1A | |
| SCHEMBL9126409 | 0.83 | TBXA2R (0.64) | TBXA2RADRB2ADRB1ADRB3HTR1A | |
| SCHEMBL8982824 | 0.82 | TBXA2R (0.53) | TBXA2RADRB2ADRB1ADRB3HTR1A | |
| SCHEMBL4026022 | 0.81 | BCHE (0.67) | BCHE |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0501693-B1 | Isoquinoline derivatives | BANYU PHARMA CO LTD (JP) | 1996-08-28 | — | — | EP | disclosed |
| US-5498717-A | CHEMICAL INTERMEDIATES FOR PRODUCING ANTITUMOR POTENTIATORS | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1996-03-12 | — | — | US | disclosed |
| US-5446164-A | Regioselective cyclization of phenethylamide derivative in presence of phosphoric acid halide, reducing formed compound | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1995-08-29 | — | — | US | disclosed |
| US-5362736-A | Alkoxy derivatives for cardiovascular disorders | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1994-11-08 | — | — | US | disclosed |
| EP-0501693-A1 | Isoquinoline derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1992-09-02 | — | — | EP | disclosed |