Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Sertraline. 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 | |
|---|---|---|---|---|
| ▸ | SLC6A4 known ✓ | P31645 | 14/20 | 0.72 |
| ▸ | SLC6A2 | P23975 | 13/20 | 0.72 |
| ▸ | SLC6A3 | Q01959 | 13/20 | 0.72 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.72 |
| ▸ | MEN1 | O00255 | 4/20 | 0.72 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.72 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.72 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.72 |
| ▸ | NPC1 | O15118 | 2/20 | 0.72 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.72 |
| ▸ | MTOR | P42345 | 2/20 | 0.72 |
| ▸ | RAB9A | P51151 | 2/20 | 0.72 |
| ▸ | MLNR | O43193 | 1/20 | 0.72 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.72 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.72 |
| ▸ | ESR1 | P03372 | 1/20 | 0.72 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.72 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.72 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.72 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.72 |
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 | |
|---|---|---|---|---|
| Sertraline SCHEMBL6700902 | 1.00 | SLC6A4 (0.72) | SLC6A4SLC6A2SLC6A3CYP3A4MEN1 | |
| Sertraline SCHEMBL1206531 | 1.00 | SLC6A4 (0.72) | SLC6A4SLC6A2SLC6A3CYP3A4MEN1 | |
| Sertraline SCHEMBL6442184 | 1.00 | SLC6A4 (0.72) | SLC6A4SLC6A2SLC6A3CYP3A4MEN1 | |
| Sertraline SCHEMBL7933194 | 1.00 | SLC6A4 (0.72) | SLC6A4SLC6A2SLC6A3CYP3A4MEN1 | |
| Sertraline SCHEMBL5146578 | 0.90 | SLC6A4 (0.77) | SLC6A4SLC6A2SLC6A3CYP3A4MEN1 | |
| Sertraline SCHEMBL5146585 | 0.90 | SLC6A4 (0.77) | SLC6A4SLC6A2SLC6A3CYP3A4MEN1 | |
| Sertraline SCHEMBL1208326 | 0.90 | SLC6A4 (0.77) | SLC6A4SLC6A2SLC6A3CYP3A4MEN1 | |
| Sertraline SCHEMBL29248769 | 0.89 | SLC6A4 (0.87) | SLC6A4SLC6A2SLC6A3CYP3A4MEN1 | |
| Sertraline SCHEMBL6442186 | 0.89 | SLC6A4 (0.62) | SLC6A4SLC6A2SLC6A3CYP3A4MEN1 | |
| Sertraline SCHEMBL1206649 | 0.88 | SLC6A4 (0.85) | SLC6A4SLC6A2SLC6A3CYP3A4MEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007119247-A2 | IMPROVED MANUFACTURING PROCEDURE FOR THE PREPARATION OF POLYMORPHIC FORM II OF CIS-(1S)-N-METHYL-4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDRO-1-NAPTHLENEAMINE HYDROCHLORIDE (SERTRALINE HYDROCHLORIDE) | UNICHEM LABORATORIES LIMITED (IN) | 2007-10-25 | — | — | WO | claimed |
| WO-2010076763-A2 | AN IMPROVED PROCESS FOR THE MANUFACTURE OF SERTRALINE | PIRAMAL HEALTHCARE LIMITED (IN) | 2010-07-08 | — | — | WO | disclosed |
| WO-2007119247-A2 | IMPROVED MANUFACTURING PROCEDURE FOR THE PREPARATION OF POLYMORPHIC FORM II OF CIS-(1S)-N-METHYL-4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDRO-1-NAPTHLENEAMINE HYDROCHLORIDE (SERTRALINE HYDROCHLORIDE) | UNICHEM LABORATORIES LIMITED (IN) | 2007-10-25 | — | — | WO | disclosed |