Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.49 |
| ▸ | CFD | P00746 | 1/20 | 0.42 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.37 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.35 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10508423 | 0.73 | NISCH (0.56) | TAAR1CFDNISCHAOC3HTR2A | |
| SCHEMBL9856686 | 0.73 | HTR2A (0.37) | TAAR1CFDSIGMAR1HTR2AHRH1 | |
| Octanedioate SCHEMBL9856701 | 0.73 | PTGER4 (0.43) | SIGMAR1HTR2AHRH1 | |
| Octanedioate SCHEMBL9856709 | 0.73 | PTGER4 (0.43) | SIGMAR1HTR2AHRH1 | |
| SCHEMBL9857014 | 0.70 | TAAR1 (0.54) | TAAR1AOC3HTR2AHRH1 | |
| SCHEMBL552436 | 0.67 | TAAR1 (1.00) | TAAR1PYCR1SIGMAR1 | |
| SCHEMBL9856602 | 0.67 | CYP2D6 (0.45) | TAAR1SIGMAR1HTR2AHRH1 | |
| Hydrochloric Acid SCHEMBL7966176 | 0.66 | TAAR1 (0.96) | TAAR1PYCR1SIGMAR1 | |
| SCHEMBL9856702 | 0.66 | TAAR1 (0.49) | TAAR1HTR2AHRH1 | |
| SCHEMBL9857027 | 0.66 | HTR2A (0.49) | TAAR1HTR2AHRH1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4996235-A | Selectively inhibiting the uptake of serotonin and norepinephrine | ELI LILLY AND COMPANY (US) | 1991-02-26 | — | — | US | disclosed |
| EP-0318233-A2 | Improvements in or relating to serotonin and norepinephrine uptake inhibitors | ELI LILLY AND COMPANY (US) | 1989-05-31 | — | — | EP | disclosed |