Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CCR5 | P51681 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28646079 | 0.78 | SLC6A2 (0.46) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4580021 | 0.77 | OPRM1 (0.46) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL3243870 | 0.77 | CYP3A4 (0.42) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27706653 | 0.77 | CES2 (0.34) | ALOX5LMNACES2CES1KEAP1 | |
| Hydrochloric Acid SCHEMBL3742361 | 0.75 | CYP3A4 (0.41) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL4581590 | 0.75 | OPRM1 (0.45) | ALOX5LMNATP53POLBTHRB | |
| SCHEMBL27602934 | 0.74 | ALOX5 (0.41) | ALOX5LMNATP53POLBTHRB | |
| SCHEMBL31070266 | 0.73 | CNR1 (0.42) | LMNAPOLBTHRBNPSR1SMN1; SMN2 | |
| SCHEMBL7013049 | 0.70 | SLC6A2 (0.44) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5711579 | 0.70 | CES2 (0.37) | SLC6A2SLC6A4SLC6A3ALOX5LMNA |
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-110028486-B | Method for extracting duloxetine intermediate | 山东睿智医药科技有限公司 | 2021-10-29 | — | — | CN | disclosed |