Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HTR1A | P08908 | 2/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.48 |
| ▸ | DRD1 | P21728 | 2/20 | 0.48 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.48 |
| ▸ | DRD3 | P35462 | 2/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.48 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.48 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.48 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.48 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL19687545 | 0.83 | TBXA2R (0.66) | CYP3A4CYP2C9ALOX12CYP2C19HTR1A | |
| SCHEMBL30516334 | 0.82 | TBXA2R (0.56) | CYP3A4CYP2C9ALOX12CYP2C19HTR1A | |
| SCHEMBL28488243 | 0.76 | GAA (0.53) | CYP3A4CYP2C9ALOX12CYP2C19HTR1A | |
| SCHEMBL4881545 | 0.76 | LMNA (0.61) | CYP3A4CYP2C9ALOX12CYP2C19TBXA2R | |
| SCHEMBL16178485 | 0.75 | PYGL (0.52) | CYP3A4CYP2C9ALOX12CYP2C19KDM4E | |
| Hydrochloric Acid SCHEMBL28497871 | 0.75 | GAA (0.52) | CYP3A4CYP2C9ALOX12CYP2C19HTR1A | |
| SCHEMBL11681868 | 0.74 | PYGL (0.49) | CYP3A4CYP2C9ALOX12CYP2C19KDM4E | |
| SCHEMBL7380488 | 0.74 | CYP2C9 (0.57) | CYP3A4CYP2C9ALOX12CYP2C19HTR1A | |
| SCHEMBL28489460 | 0.73 | PYGM (0.59) | PYGLPYGMSMN1; SMN2POLBALDH1A1 | |
| SCHEMBL28488241 | 0.72 | TBXA2R (0.85) | CYP3A4CYP2C9CYP2C19HTR1AADRA2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-112010801-B | Preparation method of amlodipine alkali | 山东汇海医药化工有限公司 | 2023-07-28 | — | — | CN | disclosed |