Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.66 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.66 |
| ▸ | TBXA2R | P21731 | 3/20 | 0.64 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.64 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.64 |
| ▸ | HTR1A | P08908 | 2/20 | 0.64 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.64 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.64 |
| ▸ | DRD1 | P21728 | 2/20 | 0.64 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.64 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.64 |
| ▸ | DRD3 | P35462 | 2/20 | 0.64 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.64 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.64 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.64 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.64 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.64 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.64 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.64 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL2846050 | 1.00 | CYP3A4 (0.66) | CYP3A4NR1I2TBXA2RADRA1ASLC6A3 | |
| SCHEMBL3376883 | 0.93 | CYP3A4 (0.77) | CYP3A4NR1I2TBXA2RADRA1ASLC6A3 | |
| SCHEMBL34462108 | 0.88 | TBXA2R (0.70) | CYP3A4NR1I2TBXA2RADRA1ASLC6A3 | |
| SCHEMBL1610044 | 0.88 | TBXA2R (0.70) | CYP3A4NR1I2TBXA2RADRA1ASLC6A3 | |
| SCHEMBL16634960 | 0.88 | TBXA2R (0.70) | CYP3A4NR1I2TBXA2RADRA1ASLC6A3 | |
| Benzene SCHEMBL7444141 | 0.88 | TBXA2R (0.70) | CYP3A4NR1I2TBXA2RADRA1ASLC6A3 | |
| SCHEMBL30669880 | 0.88 | TBXA2R (0.70) | CYP3A4NR1I2TBXA2RADRA1ASLC6A3 | |
| SCHEMBL2846047 | 0.88 | CYP3A4 (0.75) | CYP3A4NR1I2TBXA2RADRA1ASLC6A3 | |
| SCHEMBL6299952 | 0.88 | CYP3A4 (0.75) | CYP3A4NR1I2TBXA2RADRA1ASLC6A3 | |
| Benzene SCHEMBL3268864 | 0.88 | ABCB11 (0.82) | CYP3A4NR1I2TBXA2RADRA1ASLC6A3 |
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-1765342-B1 | PHARMACEUTICAL COMPOSITION COMPRISING AMLODIPINE BESILATE AND LISINOPRIL DIHYDRATE AND PROCESS FOR THE PREPARATION THEREOF | RICHTER GEDEON NYRT (HU) | 2010-11-03 | — | — | EP | disclosed |