Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 7/20 | 0.44 |
| ▸ | CTSC | P53634 | 1/20 | 0.43 |
| ▸ | HTR3E | A5X5Y0 | 4/20 | 0.43 |
| ▸ | HTR3B | O95264 | 4/20 | 0.43 |
| ▸ | HTR3A | P46098 | 4/20 | 0.43 |
| ▸ | HTR3D | Q70Z44 | 4/20 | 0.43 |
| ▸ | HTR3C | Q8WXA8 | 4/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.43 |
| ▸ | HTR1A | P08908 | 2/20 | 0.43 |
| ▸ | HTR7 | P34969 | 2/20 | 0.43 |
| ▸ | HTR2C | P28335 | 2/20 | 0.43 |
| ▸ | THRB | P10828 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL13698728 | 0.81 | ADRB1 (0.49) | ADRB1CTSCHTR3EHTR3BHTR3A | |
| SCHEMBL1758061 | 0.77 | ADRB1 (0.55) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL28569133 | 0.77 | ADRB1 (0.47) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL6027239 | 0.77 | KDR (0.47) | HTR3AHTR1AHTR7HTR2CHTR2A | |
| SCHEMBL478208 | 0.76 | ADRB1 (0.57) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL5142433 | 0.75 | HTR3E (0.59) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Hydrochloric Acid SCHEMBL30892475 | 0.74 | ADRB1 (0.55) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Hydrochloric Acid SCHEMBL28512966 | 0.74 | ADRB1 (0.55) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Hydrochloric Acid SCHEMBL8318106 | 0.74 | ADRB1 (0.55) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL31071850 | 0.74 | HTR7 (0.58) | ADRB1HTR3EHTR3BHTR3AHTR3D |
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 |
|---|---|---|---|---|---|---|---|
| EP-1656361-A1 | PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-05-17 | — | — | EP | disclosed |
| WO-2005014563-A1 | PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-02-17 | — | — | WO | disclosed |