Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 4/20 | 0.49 |
| ▸ | HRH1 | P35367 | 4/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.42 |
| ▸ | CTSB | P07858 | 1/20 | 0.42 |
| ▸ | CTSS | P25774 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.40 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.40 |
| ▸ | HTR2B | P41595 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL9856450 | 0.90 | NOS2 (0.45) | HTR2AHRH1SLC6A4SLC6A2CTSL | |
| Fumaric Acid SCHEMBL9856436 | 0.90 | NOS2 (0.45) | HTR2AHRH1SLC6A4SLC6A2CTSL | |
| Fumaric Acid SCHEMBL9856447 | 0.90 | NOS2 (0.45) | HTR2AHRH1SLC6A4SLC6A2CTSL | |
| SCHEMBL8384207 | 0.86 | HTR2A (0.60) | HTR2AHRH1SLC6A4SLC6A2CYP3A4 | |
| SCHEMBL9857077 | 0.85 | HTR2A (0.49) | HTR2AHRH1SLC6A4SLC6A2CYP3A4 | |
| SCHEMBL9857036 | 0.85 | HTR2A (0.49) | HTR2AHRH1SLC6A4SLC6A2CTSB | |
| SCHEMBL9856737 | 0.84 | SLC6A4 (0.54) | HTR2AHRH1SLC6A4SLC6A2KMT2A | |
| SCHEMBL9856768 | 0.84 | TAAR1 (0.54) | HTR2AHRH1SLC6A4SLC6A2CYP3A4 | |
| SCHEMBL9857294 | 0.83 | HTR2A (0.53) | HTR2AHRH1SLC6A4SLC6A2CYP3A4 | |
| SCHEMBL6547355 | 0.83 | ESR1 (0.46) | HTR2AHRH1SLC6A4SLC6A2CTSL |
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 |