Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7296321 | 0.96 | — | — | |
| SCHEMBL2849489 | 0.96 | — | — | |
| SCHEMBL1232757 | 0.96 | — | — | |
| SCHEMBL27928465 | 0.90 | NPC1 (0.43) | NPC1RAB9AKMT2AALOX5LMNA | |
| Dimethylamine SCHEMBL27876905 | 0.90 | NPC1 (0.43) | NPC1RAB9AKMT2AALOX5LMNA | |
| Dimethylamine SCHEMBL27907968 | 0.89 | KMT2A (0.42) | NPC1RAB9AKMT2ALMNACES2 | |
| SCHEMBL12235253 | 0.80 | NPC1 (0.51) | NPC1RAB9AKMT2AALOX5CES2 | |
| SCHEMBL5834937 | 0.80 | NPC1 (0.51) | NPC1RAB9AKMT2AALOX5CES2 | |
| SCHEMBL14386089 | 0.80 | NPC1 (0.51) | NPC1RAB9AKMT2AALOX5CES2 | |
| SCHEMBL4131049 | 0.79 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116083381-A | Alcohol dehydrogenase and application thereof in preparation of duloxetine key intermediate | 上海奥博生物医药股份有限公司 | 2023-05-09 | — | — | CN | claimed |
| CN-116731987-A | Ketoreductase, ketoreductase mutant, encoding genes and application of ketoreductase mutant | 南京桦冠生物技术有限公司 | 2023-09-12 | — | — | CN | disclosed |
| CN-110229796-B | Ketoreductase mutant and application thereof in preparation of duloxetine chiral alcohol intermediate and analogue thereof | 安徽趣酶生物科技有限公司 | 2023-09-05 | — | — | CN | disclosed |
| CN-110129307-B | Immobilized ketoreductase mutant and application thereof in preparation of duloxetine chiral alcohol intermediate and analogue thereof | 安徽趣酶生物科技有限公司 | 2023-09-05 | — | — | CN | disclosed |
| CN-116083381-A | Alcohol dehydrogenase and application thereof in preparation of duloxetine key intermediate | 上海奥博生物医药股份有限公司 | 2023-05-09 | — | — | CN | disclosed |
| CN-116083381-A | Alcohol dehydrogenase and application thereof in preparation of duloxetine key intermediate | 上海奥博生物医药股份有限公司 | 2023-05-09 | — | — | CN | disclosed |
| CN-108341797-B | Synthesis method of duloxetine intermediate | 重庆常捷医药有限公司 | 2021-04-27 | — | — | CN | disclosed |
| CN-108341797-B | Synthesis method of duloxetine intermediate | 重庆常捷医药有限公司 | 2021-04-27 | — | — | CN | disclosed |