Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 13/20 | 0.48 |
| ▸ | ADRA1B | P35368 | 10/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 8/20 | 0.48 |
| ▸ | ADRA1D | P25100 | 7/20 | 0.48 |
| ▸ | DRD2 | P14416 | 6/20 | 0.48 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.44 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | HTR7 | P34969 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL12557639 | 0.87 | HTR1A (0.52) | HTR1AADRA1BADRA1AADRA1DDRD2 | |
| Hydrochloric Acid SCHEMBL9424728 | 0.85 | ALDH1A1 (0.52) | HTR1AADRA1BADRA1AADRA1DDRD2 | |
| SCHEMBL6751068 | 0.80 | HTR1A (0.49) | HTR1AADRA1BADRA1AADRA1DDRD2 | |
| SCHEMBL9386416 | 0.80 | HTR1A (0.48) | HTR1AADRA1BADRA1AADRA1DDRD2 | |
| SCHEMBL6580269 | 0.80 | HTR1A (0.48) | HTR1AADRA1BADRA1AADRA1DDRD2 | |
| SCHEMBL12600977 | 0.80 | HTR1A (0.48) | HTR1AADRA1BADRA1AADRA1DDRD2 | |
| SCHEMBL6580422 | 0.78 | HTR1A (0.47) | HTR1AADRA1BADRA1AADRA1DDRD2 | |
| SCHEMBL11608413 | 0.78 | HTR1A (0.47) | HTR1AADRA1BADRA1AADRA1DDRD2 | |
| SCHEMBL7356006 | 0.77 | HTR1A (0.50) | HTR1AADRA1BADRA1AADRA1DDRD2 | |
| SCHEMBL10469601 | 0.77 | HTR1A (0.46) | HTR1AADRA1BADRA1AADRA1DDRD2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5541326-A | PHARMACEUTICAL COMPOSITION USED TO TREAT CENTRAL NERVOUS SYSTEM DISORDERS | JOHN WYETH & BROTHER, LIMITED (GB) | 1996-07-30 | — | — | US | disclosed |
| US-5420278-A | ω-(4-aryl or heteroarylpiperazine-1-yl)-2-aryl or aralkyl-propanoic or butanoic acids | JOHN WYETH & BROTHER, LIMITED (GB) | 1995-05-30 | — | — | US | disclosed |
| US-5382583-A | Hydroxytryptamine antagonists | JOHN WYETH & BROTHER, LIMITED (GB) | 1995-01-17 | — | — | US | disclosed |
| US-5364849-A | Treatment of anxiety | JOHN WYETH & BROTHER, LIMITED (GB) | 1994-11-15 | — | — | US | disclosed |
| US-5340812-A | Antiserotonin. anxiolytic agents | JOHN WYETH & BROTHER, LIMITED (GB) | 1994-08-23 | — | — | US | disclosed |