Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Duloxetine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 13/20 | 0.82 |
| ▸ | SLC6A4 known ✓ | P31645 | 13/20 | 0.82 |
| ▸ | SLC6A3 | Q01959 | 10/20 | 0.82 |
| ▸ | MLNR | O43193 | 1/20 | 0.82 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.82 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.82 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.82 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.82 |
| ▸ | HTR1A | P08908 | 1/20 | 0.82 |
| ▸ | GAA | P10253 | 1/20 | 0.82 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.82 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.82 |
| ▸ | DRD2 | P14416 | 1/20 | 0.82 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.82 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.82 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.82 |
| ▸ | HTR2A | P28223 | 1/20 | 0.82 |
| ▸ | HTR2C | P28335 | 1/20 | 0.82 |
| ▸ | MC4R | P32245 | 1/20 | 0.82 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.82 |
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 | |
|---|---|---|---|---|
| Duloxetine SCHEMBL3130270 | 0.95 | SLC6A2 (0.74) | SLC6A2SLC6A4SLC6A3MLNRCACNA1F | |
| Duloxetine SCHEMBL308488 | 0.93 | SLC6A2 (0.87) | SLC6A2SLC6A4SLC6A3MLNRCACNA1F | |
| Duloxetine SCHEMBL2120068 | 0.93 | SLC6A2 (0.87) | SLC6A2SLC6A4SLC6A3MLNRCACNA1F | |
| Duloxetine SCHEMBL3335 | 0.93 | SLC6A2 (0.87) | SLC6A2SLC6A4SLC6A3MLNRCACNA1F | |
| Duloxetine SCHEMBL3896385 | 0.93 | SLC6A2 (0.87) | SLC6A2SLC6A4SLC6A3MLNRCACNA1F | |
| Duloxetine SCHEMBL4573554 | 0.92 | SLC6A2 (0.85) | SLC6A2SLC6A4SLC6A3MLNRCACNA1F | |
| Duloxetine SCHEMBL4098075 | 0.91 | SLC6A2 (0.77) | SLC6A2SLC6A4SLC6A3MLNRCACNA1F | |
| Duloxetine SCHEMBL3130190 | 0.91 | SLC6A2 (0.77) | SLC6A2SLC6A4SLC6A3MLNRCACNA1F | |
| Duloxetine SCHEMBL309402 | 0.91 | SLC6A2 (0.83) | SLC6A2SLC6A4SLC6A3MLNRCACNA1F | |
| Duloxetine SCHEMBL2109339 | 0.91 | SLC6A2 (0.87) | SLC6A2SLC6A4SLC6A3MLNRCACNA1F |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101125848-B | A process for preparing duloxetine and intermediates for use therein | CIPLA LTD | 2012-09-12 | — | — | CN | claimed |
| CN-100579975-C | Process for preparing duloxetine and intermediates used therein | CIPLA LTD | 2010-01-13 | — | — | CN | claimed |
| CN-101125848-A | A process for preparing duloxetine and intermediates for use therein | CIPLA LTD (IN) | 2008-02-20 | — | — | CN | claimed |
| CN-1747947-A | Process for preparing duloxetine and intermediates used therein | CIPLA LTD (IN) | 2006-03-15 | — | — | CN | claimed |
| WO-2018206923-A1 | NOVEL FORMULATIONS | OPAL IP LIMITED (GB) | 2018-11-15 | — | — | WO | disclosed |
| CN-101125848-B | A process for preparing duloxetine and intermediates for use therein | CIPLA LTD | 2012-09-12 | — | — | CN | disclosed |
| EP-1857451-B1 | A process for the preparation of an intermediate useful for the asymmetric synthesis of (+)duloxetine | FIDIA FARMACEUTICI (IT) | 2010-07-21 | — | — | EP | disclosed |
| CN-100579975-C | Process for preparing duloxetine and intermediates used therein | CIPLA LTD | 2010-01-13 | — | — | CN | disclosed |
| CN-101125848-A | A process for preparing duloxetine and intermediates for use therein | CIPLA LTD (IN) | 2008-02-20 | — | — | CN | disclosed |
| EP-1857451-A1 | A process for the preparation of an intermediate useful for the asymmetric synthesis of (+)duloxetine | SOLMAG S.p.A. (IT) | 2007-11-21 | — | — | EP | disclosed |
| CN-1747947-A | Process for preparing duloxetine and intermediates used therein | CIPLA LTD (IN) | 2006-03-15 | — | — | CN | disclosed |