Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.67 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.53 |
| ▸ | HTR2A | P28223 | 2/20 | 0.53 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | DRD2 | P14416 | 1/20 | 0.53 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.53 |
| ▸ | CNR1 | P21554 | 1/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.53 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.53 |
| ▸ | EBP | Q15125 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL29336556 | 0.88 | CYP2D6 (0.61) | CYP2D6CYP1A2CYP2C19SIGMAR1LMNA | |
| SCHEMBL31612483 | 0.86 | CYP2D6 (0.59) | CYP2D6CYP1A2CYP2C19SIGMAR1LMNA | |
| SCHEMBL25761285 | 0.86 | CYP2D6 (0.59) | CYP2D6CYP1A2CYP2C19SIGMAR1LMNA | |
| SCHEMBL29336388 | 0.84 | CYP1A2 (0.56) | CYP2D6CYP1A2CYP2C19LMNASLC6A2 | |
| SCHEMBL7587851 | 0.83 | CYP2D6 (0.59) | CYP2D6CYP1A2CYP2C19SIGMAR1LMNA | |
| Hydrochloric Acid SCHEMBL28414863 | 0.82 | CYP2D6 (0.66) | CYP2D6CYP1A2CYP2C19SIGMAR1LMNA | |
| SCHEMBL8667652 | 0.82 | CYP2D6 (0.54) | CYP2D6CYP1A2CYP2C19SIGMAR1LMNA | |
| SCHEMBL28462489 | 0.81 | CYP2D6 (0.67) | CYP2D6CYP1A2CYP2C19SIGMAR1LMNA | |
| SCHEMBL9446263 | 0.81 | CYP1A2 (0.60) | CYP2D6CYP1A2CYP2C19SIGMAR1LMNA | |
| SCHEMBL31316173 | 0.80 | CYP2D6 (0.77) | CYP2D6CYP1A2CYP2C19SIGMAR1LMNA |
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-2007052089-A1 | A PROCESS FOR THE PURIFICATION OF 1-HALO-6,6-DIMETHYL-HEPT-2-ENE-4-YNE | AUROBINDO PHARMA LTD (IN) | 2007-05-10 | — | — | WO | disclosed |