Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 9/20 | 0.41 |
| ▸ | DRD2 | P14416 | 5/20 | 0.41 |
| ▸ | HTR2A | P28223 | 5/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HTR1D | P28221 | 2/20 | 0.41 |
| ▸ | HTR1B | P28222 | 2/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
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 SCHEMBL8543414 | 0.99 | CYP2C9 (0.47) | CYP2C9HTR1ADRD2HTR2AADRA1D | |
| SCHEMBL8545044 | 0.92 | MEN1 (0.49) | CYP2C9HTR1ADRD2ADRA1DADRA1A | |
| SCHEMBL8545232 | 0.91 | MEN1 (0.44) | CYP2C9HTR1ADRD2HTR2AADRA1D | |
| Hydrochloric Acid SCHEMBL8545543 | 0.91 | MEN1 (0.48) | CYP2C9HTR1ADRD2ADRA1DADRA1A | |
| SCHEMBL8545113 | 0.90 | DRD2 (0.43) | HTR1ADRD2HTR2AADRA1DADRA1A | |
| Hydrochloric Acid SCHEMBL8545099 | 0.90 | MEN1 (0.43) | CYP2C9HTR1ADRD2HTR2AADRA1D | |
| Hydrochloric Acid SCHEMBL8546530 | 0.90 | DRD2 (0.43) | HTR1ADRD2HTR2AADRA1DADRA1A | |
| SCHEMBL8551139 | 0.90 | ADRA1D (0.52) | HTR1AADRA1DADRA1AADRA1BMEN1 | |
| Hydrochloric Acid SCHEMBL8549071 | 0.89 | ADRA1D (0.51) | HTR1AADRA1DADRA1AADRA1BMEN1 | |
| SCHEMBL8544241 | 0.86 | MEN1 (0.45) | HTR1AHTR2AMEN1ALDH1A1KMT2A |
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 |