Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 4/20 | 0.49 |
| ▸ | HTR6 | P50406 | 4/20 | 0.45 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.45 |
| ▸ | HTR3B | O95264 | 2/20 | 0.45 |
| ▸ | HTR3A | P46098 | 2/20 | 0.45 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.45 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | HTR7 | P34969 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 2/20 | 0.43 |
| ▸ | HTR2A | P28223 | 2/20 | 0.43 |
| ▸ | HTR5A | P47898 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL4507584 | 0.88 | ADRB1 (0.51) | ADRB1HTR6HTR3EHTR3BHTR3A | |
| SCHEMBL5332592 | 0.81 | HCRTR1 (0.51) | ADRB1DRD2DRD3HTR1AHTR2A | |
| SCHEMBL3192640 | 0.81 | ADRB1 (0.44) | ADRB1HTR6HTR3EHTR3BHTR3A | |
| SCHEMBL1450313 | 0.80 | NPC1 (0.70) | ADRB1HTR6HTR3EHTR3BHTR3A | |
| SCHEMBL4458672 | 0.80 | ADRB1 (0.56) | ADRB1HTR6HTR3EHTR3BHTR3A | |
| SCHEMBL31349267 | 0.80 | ADRB1 (0.56) | ADRB1HTR6HTR3EHTR3BHTR3A | |
| SCHEMBL5707829 | 0.79 | ADRB1 (0.56) | ADRB1HTR6HTR3EHTR3BHTR3A | |
| SCHEMBL6890119 | 0.79 | CYP1A2 (0.45) | ADRB1SIGMAR1DRD2DRD3HTR1A | |
| Hydrochloric Acid SCHEMBL2322522 | 0.78 | ADRB1 (0.54) | ADRB1HTR6HTR3EHTR3BHTR3A | |
| Hydrochloric Acid SCHEMBL27658727 | 0.78 | NPC1 (0.68) | ADRB1HTR6HTR3EHTR3BHTR3A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2077841-A1 | NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS | Glaxo Group Limited (GB) | 2009-07-15 | — | — | EP | claimed |
| WO-2008052934-A1 | NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2008-05-08 | — | — | WO | claimed |
| EP-2077841-A1 | NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS | Glaxo Group Limited (GB) | 2009-07-15 | — | — | EP | disclosed |
| WO-2008052934-A1 | NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2008-05-08 | — | — | WO | disclosed |
| WO-2006027211-A1 | 2,4-SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2006-03-16 | — | — | WO | disclosed |