Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Esreboxetine. 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 | 0.84 |
| ▸ | SLC6A4 | P31645 | 12/20 | 0.84 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.84 |
| ▸ | MLNR | O43193 | 1/20 | 0.84 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.84 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.84 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.84 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.84 |
| ▸ | HTR2C | P28335 | 1/20 | 0.84 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.84 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.84 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.84 |
| ▸ | MEN1 | O00255 | 1/20 | 0.84 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.84 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.84 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.84 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.84 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.84 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.84 |
| ▸ | HRH1 | P35367 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| Reboxetine SCHEMBL28806309 | 1.00 | SLC6A2 (0.84) | SLC6A2SLC6A4SLC6A3MLNRADRB2 | |
| Reboxetine SCHEMBL3667474 | 1.00 | SLC6A2 (0.84) | SLC6A2SLC6A4SLC6A3MLNRADRB2 | |
| Reboxetine SCHEMBL1694154 | 0.92 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3MLNRADRB2 | |
| Reboxetine SCHEMBL3185550 | 0.92 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3MLNRADRB2 | |
| Reboxetine SCHEMBL6737649 | 0.92 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3MLNRADRB2 | |
| Reboxetine SCHEMBL5783865 | 0.92 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3MLNRADRB2 | |
| Reboxetine SCHEMBL1694155 | 0.92 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3MLNRADRB2 | |
| Reboxetine SCHEMBL34533 | 0.92 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3MLNRADRB2 | |
| Reboxetine SCHEMBL3195078 | 0.92 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3MLNRADRB2 | |
| Esreboxetine SCHEMBL34534 | 0.92 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3MLNRADRB2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9901568-B2 | Pharmaceutical compositions of 5-hydroxytryptophan and serotonin-enhancing compound | DUKE UNIVERSITY (US) | 2018-02-27 | — | — | US | disclosed |
| US-20150133499-A1 | PHARMACEUTICAL COMPOSITIONS OF 5-HYDROXYTRYPTOPHAN AND SEROTONIN-ENHANCING COMPOUND | UNIV DUKE (US) | 2015-05-14 | — | — | US | disclosed |
| US-8969400-B2 | Pharmaceutical compositions of 5-hydroxytryptophan and serotonin-enhancing compound | DUKE UNIVERSITY (US) | 2015-03-03 | — | — | US | disclosed |
| US-20100298379-A1 | PHARMACEUTICAL COMPOSITIONS OF 5-HYDROXYTRYPTOPHAN AND SEROTONIN-ENHANCING COMPOUND | JACOBSEN, JACOB PADE RAMSOE | 2010-11-25 | — | — | US | disclosed |
| EP-2205231-A1 | PHARMACEUTICAL COMPOSITIONS OF 5-HYDR0XYTRYPT0PHAN AND SEROTONIN-ENHANCING COMPOUND | NeuroSearch A/S (DK) | 2010-07-14 | — | — | EP | disclosed |
| WO-2009043834-A1 | PHARMACEUTICAL COMPOSITIONS OF 5-HYDR0XYTRYPT0PHAN AND SEROTONIN-ENHANCING COMPOUND | NEUROSEARCH A/S (DK) | 2009-04-09 | — | — | WO | disclosed |
| EP-1534254-A2 | METHOD OF PROMOTING SMOKING CESSATION | Pharmacia & Upjohn Company LLC (US) | 2005-06-01 | — | — | EP | disclosed |
| US-20040102440-A1 | Method of promoting smoking cessation | PHARMACIA & UPJOHN COMPANY | 2004-05-27 | — | — | US | disclosed |
| WO-2004002463-A2 | METHOD OF PROMOTING SMOKING CESSATION | PHARMACIA & UPJOHN COMPANY LLC (US) | 2004-01-08 | — | — | WO | disclosed |