Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 2/20 | 0.55 |
| ▸ | HTR6 | P50406 | 7/20 | 0.46 |
| ▸ | HTR1A | P08908 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | HTR3A | P46098 | 2/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.42 |
| ▸ | HTR7 | P34969 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL3951660 | 0.84 | ADRB1 (0.59) | ADRB1HTR6HTR1ACYP1A2CYP3A4 | |
| SCHEMBL1742844 | 0.84 | ADRB1 (0.59) | ADRB1HTR6HTR1ACYP1A2CYP3A4 | |
| SCHEMBL4062286 | 0.81 | ADRB1 (0.44) | ADRB1HTR1ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5864197 | 0.80 | ADRB1 (0.54) | ADRB1HTR6HTR1ACYP1A2CYP3A4 | |
| SCHEMBL1742847 | 0.74 | ADRB1 (0.51) | ADRB1HTR6HTR1ACYP1A2CYP2D6 | |
| SCHEMBL9283305 | 0.73 | OPRD1 (0.50) | ADRB1HTR6HTR1AHTR3ADRD2 | |
| SCHEMBL13563351 | 0.73 | HTR1A (0.69) | ADRB1HTR6HTR1ACYP1A2CYP3A4 | |
| SCHEMBL27654677 | 0.73 | HTR1A (0.47) | ADRB1HTR6HTR1ACYP1A2CYP3A4 | |
| SCHEMBL3626941 | 0.72 | ADRB1 (0.69) | ADRB1HTR6HTR1ACYP1A2CYP3A4 | |
| SCHEMBL9283309 | 0.72 | DRD2 (0.52) | ADRB1HTR6HTR1ACYP1A2CYP2D6 |
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 |