Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4368416 | 0.80 | CYP4A11 (0.47) | ESR1CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4368413 | 0.75 | ESR1 (0.40) | ESR1CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL1835580 | 0.75 | ESR1 (0.61) | ESR1CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1738833 | 0.75 | IDO1 (0.40) | ESR1CYP1A2CYP2D6CYP2C19HTR2A | |
| SCHEMBL872871 | 0.74 | SLC6A2 (0.54) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL793588 | 0.72 | KCNH2 (0.50) | KCNH2LMNATSHR | |
| SCHEMBL25827946 | 0.72 | HRH3 (0.43) | KCNH2ESR1TDP1CASR | |
| Ammonia Solution, Strong SCHEMBL27418091 | 0.71 | SLC6A2 (0.50) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2846166 | 0.70 | TAAR1 (0.61) | TAAR1TDP1CALM1 | |
| SCHEMBL16563794 | 0.69 | ALDH1A1 (0.45) | SLC6A4SLC6A3ALDH1A1TSHRCASR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009059944-A1 | ELECTROCHEMICAL METHOD FOR PRODUCING BENZALDEHYDE DIMETHYL ACETYLENE | BASF SE (DE) | 2009-05-14 | — | — | WO | disclosed |