Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1D | P25100 | 3/20 | 0.52 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.52 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.52 |
| ▸ | HTR1A | P08908 | 12/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.52 |
| ▸ | DRD2 | P14416 | 6/20 | 0.49 |
| ▸ | HTR2A | P28223 | 6/20 | 0.49 |
| ▸ | HTR1D | P28221 | 2/20 | 0.46 |
| ▸ | HTR1B | P28222 | 2/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8549073 | 0.99 | ADRA1D (0.52) | ADRA1DADRA1AADRA1BHTR1ASLC6A4 | |
| SCHEMBL8545233 | 0.92 | HTR1A (0.54) | HTR1ASLC6A4DRD2HTR2AHTR1D | |
| Hydrochloric Acid SCHEMBL8545102 | 0.91 | HTR1A (0.53) | HTR1ASLC6A4DRD2HTR2AHTR1D | |
| SCHEMBL8545047 | 0.91 | HTR1A (0.53) | ADRA1DADRA1AADRA1BHTR1ASLC6A4 | |
| SCHEMBL8549120 | 0.90 | HTR1A (0.53) | HTR1ASLC6A4DRD2HTR2AHTR1D | |
| SCHEMBL8545117 | 0.90 | HTR1A (0.53) | ADRA1DADRA1AADRA1BHTR1ASLC6A4 | |
| Hydrochloric Acid SCHEMBL8545546 | 0.90 | HTR1A (0.52) | ADRA1DADRA1AADRA1BHTR1ASLC6A4 | |
| Hydrochloric Acid SCHEMBL8546533 | 0.89 | HTR1A (0.52) | ADRA1DADRA1AADRA1BHTR1ASLC6A4 | |
| Hydrochloric Acid SCHEMBL8543418 | 0.89 | HTR1A (0.52) | HTR1ASLC6A4DRD2HTR2AHTR1D | |
| Hydrochloric Acid SCHEMBL8551587 | 0.87 | KCNJ1 (0.60) | HTR1ASLC6A4DRD2HTR2AHTR1D |
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 |
|---|---|---|---|---|---|---|---|
| EP-0660832-B1 | SEROTONIN RECEPTOR AGENTS | MERRELL PHARMA INC (US) | 1998-01-14 | — | — | EP | disclosed |
| US-5436246-A | Compounds for treatment of anxiety, depression, migraine, stroke, angina and hypertension | MERRELL DOW PHARMACEUTICALS INC. | 1995-07-25 | — | — | US | disclosed |
| EP-0660832-A1 | SEROTONIN RECEPTOR AGENTS | MERRELL PHARMACEUTICALS INC. (US) | 1995-07-05 | — | — | EP | disclosed |
| WO-1994006789-A1 | SEROTONIN RECEPTOR AGENTS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1994-03-31 | — | — | WO | disclosed |