Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 7/20 | 0.47 |
| ▸ | HTR3A | P46098 | 3/20 | 0.46 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.46 |
| ▸ | HTR3B | O95264 | 2/20 | 0.46 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.46 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.46 |
| ▸ | DRD2 | P14416 | 2/20 | 0.44 |
| ▸ | DRD3 | P35462 | 2/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | HTR7 | P34969 | 2/20 | 0.41 |
| ▸ | HTR1A | P08908 | 2/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL470181 | 0.87 | ADRB1 (0.47) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL17884970 | 0.86 | ADRB1 (0.53) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL30609616 | 0.86 | ADRB1 (0.53) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL459418 | 0.84 | ADRB1 (0.52) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL30609651 | 0.80 | ALDH1A1 (0.50) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL17884850 | 0.80 | ALDH1A1 (0.50) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL12457290 | 0.78 | ADRB1 (0.45) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL2872887 | 0.78 | HTR3A (0.57) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL7544806 | 0.77 | ALDH1A1 (0.61) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL4930499 | 0.77 | HSP90AA1 (0.51) | ADRB1HTR3AHTR3EHTR3BHTR3D |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012033736-A1 | NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-15 | — | — | WO | disclosed |