Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 9/20 | 0.67 |
| ▸ | DRD2 | P14416 | 9/20 | 0.67 |
| ▸ | HTR2A | P28223 | 7/20 | 0.67 |
| ▸ | DRD4 | P21917 | 6/20 | 0.67 |
| ▸ | HTR1A | P08908 | 5/20 | 0.67 |
| ▸ | HTR1B | P28222 | 3/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.48 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.48 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.48 |
| ▸ | DRD1 | P21728 | 1/20 | 0.48 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.48 |
| ▸ | DRD3 | P35462 | 1/20 | 0.48 |
| ▸ | HTR2B | P41595 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7404128 | 0.99 | HTR1D (0.66) | HTR1DDRD2HTR2ADRD4HTR1A | |
| SCHEMBL7401836 | 0.80 | DRD2 (0.74) | HTR1DDRD2HTR2ADRD4HTR1A | |
| SCHEMBL5698958 | 0.80 | DRD2 (1.00) | HTR1DDRD2HTR2ADRD4HTR1A | |
| Hydrochloric Acid SCHEMBL7400497 | 0.79 | DRD2 (0.98) | HTR1DDRD2HTR2ADRD4HTR1A | |
| Hydrochloric Acid SCHEMBL8185555 | 0.79 | DRD2 (0.72) | HTR1DDRD2HTR2ADRD4HTR1A | |
| SCHEMBL9532157 | 0.79 | SIGMAR1 (0.54) | HTR1DHTR1AHTR1BALDH1A1SIGMAR1 | |
| Hydrochloric Acid SCHEMBL7398103 | 0.78 | DRD2 (0.96) | HTR1DDRD2HTR2ADRD4HTR1A | |
| Hydrochloric Acid SCHEMBL7398100 | 0.78 | DRD2 (0.96) | HTR1DDRD2HTR2ADRD4HTR1A | |
| SCHEMBL10991331 | 0.75 | HTR1D (0.45) | HTR1DDRD2HTR2ADRD4HTR1A | |
| SCHEMBL7403507 | 0.74 | DRD2 (0.81) | HTR1DDRD2HTR2ADRD4HTR1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0737189-B1 | HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CNS AND CARDIOVASCULAR DISORDERS | UPJOHN CO (US) | 1999-07-28 | — | — | EP | claimed |
| EP-0737189-A1 | HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CNS AND CARDIOVASCULAR DISORDERS | PHARMACIA & UPJOHN COMPANY (US) | 1996-10-16 | — | — | EP | claimed |
| WO-1995018118-A1 | HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CNS AND CARDIOVASCULAR DISORDERS | THE UPJOHN COMPANY (US) | 1995-07-06 | — | — | WO | claimed |