Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 15/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 14/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 14/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 10/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.52 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | HTR2C | P28335 | 1/20 | 0.50 |
| ▸ | HTR2B | P41595 | 1/20 | 0.50 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL3738837 | 1.00 | SLC6A2 (0.52) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL3729575 | 0.98 | SLC6A2 (0.54) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL8620876 | 0.90 | HTR2A (0.50) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL8625124 | 0.87 | HTR2A (0.50) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL8620786 | 0.81 | HTR2A (0.58) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| Hydrochloric Acid SCHEMBL8624921 | 0.80 | HTR2A (0.56) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL3372795 | 0.79 | CYP2D6 (0.61) | SLC6A2SLC6A4SLC6A3CYP2D6TAAR1 | |
| SCHEMBL4017223 | 0.78 | SLC6A2 (0.55) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| Hydrochloric Acid SCHEMBL3372086 | 0.78 | CYP2D6 (0.59) | SLC6A2SLC6A4SLC6A3CYP2D6TAAR1 | |
| SCHEMBL8618784 | 0.78 | HTR2A (0.58) | SLC6A2SLC6A3HTR2AHTR2CHTR2B |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8507500-B2 | Inhibiting neurotransmitter reuptake | MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) | 2013-08-13 | — | — | US | disclosed |
| US-8440724-B2 | Inhibiting neurotransmitter reuptake | MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) | 2013-05-14 | — | — | US | disclosed |
| US-20130059864-A1 | INHIBITING NEUROTRANSMITTER REUPTAKE | MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) | 2013-03-07 | — | — | US | disclosed |
| US-20100280127-A1 | INHIBITING NEUROTRANSMITTER REUPTAKE | MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH | 2010-11-04 | — | — | US | disclosed |