Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 4/20 | 0.42 |
| ▸ | HTR3A | P46098 | 3/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.42 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.40 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3951662 | 0.84 | ADRB1 (0.47) | ADRB1ALDH1A1HTTHTR1AHTR3A | |
| SCHEMBL1742849 | 0.84 | ADRB1 (0.47) | ADRB1ALDH1A1L3MBTL1HTTHTR1A | |
| SCHEMBL5745223 | 0.82 | ADRB1 (0.49) | ADRB1ALDH1A1HTR1AHTR3ACYP1A2 | |
| SCHEMBL5745278 | 0.82 | ALDH1A1 (0.53) | ADRB1ALDH1A1L3MBTL1HTTHTR1A | |
| SCHEMBL4062291 | 0.81 | ADRB1 (0.55) | ADRB1ALDH1A1HTR1AHTR3ACYP1A2 | |
| Acetamide SCHEMBL3242644 | 0.79 | ADRB1 (0.51) | ADRB1ALDH1A1HTTHTR1AHTR3A | |
| SCHEMBL336283 | 0.77 | ADRB1 (0.63) | ADRB1ALDH1A1HTTHTR1AHTR3A | |
| SCHEMBL27207267 | 0.76 | ADRB1 (0.42) | ADRB1ALDH1A1L3MBTL1HTTHTR1A | |
| Hydrochloric Acid SCHEMBL6739727 | 0.75 | ADRB1 (0.61) | ADRB1ALDH1A1HTR1AHTR3ACYP1A2 | |
| SCHEMBL27207499 | 0.73 | ADRB1 (0.44) | ADRB1ALDH1A1HTTHTR1AHTR3A |
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 |