Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 13/20 | 0.45 |
| ▸ | ESR1 | P03372 | 13/20 | 0.45 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP12 | P39900 | 1/20 | 0.39 |
| ▸ | MMP14 | P50281 | 1/20 | 0.39 |
| ▸ | MMP15 | P51511 | 1/20 | 0.39 |
| ▸ | MMP16 | P51512 | 1/20 | 0.39 |
| ▸ | MMP26 | Q9NRE1 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | DRD5 | P21918 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5669983 | 0.91 | ESR2 (0.40) | ESR2ESR1GRIN1GRIN2BDRD2 | |
| SCHEMBL4637682 | 0.86 | NR1H2 (0.46) | ESR2ESR1GRIN1GRIN2BMMP1 | |
| SCHEMBL19638276 | 0.86 | CAMK2A (0.41) | ESR2ESR1 | |
| SCHEMBL5551729 | 0.84 | ESR1 (0.47) | ESR2ESR1GRIN1GRIN2BDRD2 | |
| SCHEMBL5170173 | 0.84 | ALDH1A1 (0.34) | GRIN1GRIN2B | |
| SCHEMBL2120755 | 0.83 | DPP4 (0.38) | DRD2DRD4DRD3 | |
| SCHEMBL5170182 | 0.83 | HCRTR1 (0.32) | ESR2ESR1GRIN1GRIN2BDRD2 | |
| SCHEMBL2312465 | 0.82 | HTR1A (0.43) | — | |
| SCHEMBL5245974 | 0.82 | HTT (0.39) | MMP1MMP2MMP9MMP12MMP14 | |
| SCHEMBL2121244 | 0.81 | ESR1 (0.40) | ESR2ESR1DRD2DRD1DRD4 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2443110-A1 | S1P1 AGONISTS COMPRISING A BICYCLIC N-CONTAINING RING | Glaxo Group Limited (GB) | 2012-04-25 | — | — | EP | disclosed |
| WO-2010146105-A1 | S1P1 AGONISTS COMPRISING A BICYCLIC N-CONTAINING RING | GLAXO GROUP LIMITED (GB) | 2010-12-23 | — | — | WO | disclosed |
| EP-1773844-A1 | COMPOUNDS HAVING AFFINITY FOR THE DOPAMINE D3 RECEPTOR AND USES THEREOF IN MEDICINE | GLAXO GROUP LIMITED (GB) | 2007-04-18 | — | — | EP | disclosed |
| EP-1756094-A1 | 3-CYCLOALKYLBENZAZEPINES AS HISTAMINE H3 ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2007-02-28 | — | — | EP | disclosed |
| EP-1751163-A2 | COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF | GLAXO GROUP LIMITED (GB) | 2007-02-14 | — | — | EP | disclosed |
| EP-1735299-A1 | TERTRAHYDROBENZAZEPINES AS HISTAMINE H3 RECEPTOR LIGANDS | GLAXO GROUP LIMITED (GB) | 2006-12-27 | — | — | EP | disclosed |
| EP-1730114-A1 | BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS | GLAXO GROUP LIMITED (GB) | 2006-12-13 | — | — | EP | disclosed |
| WO-2006002928-A1 | COMPOUNDS HAVING AFFINITY FOR THE DOPAMINE D3 RECEPTOR AND USES THEREOF IN MEDICINE | GLAXO GROUP LIMITED (GB) | 2006-01-12 | — | — | WO | disclosed |
| WO-2005123723-A1 | 3-CYCLOALKYLBENZAZEPINES AS HISTAMINE H3 ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2005-12-29 | — | — | WO | disclosed |
| WO-2005118549-A2 | COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF | GLAXO GROUP LIMITED (GB) | 2005-12-15 | — | — | WO | disclosed |
| WO-2005097778-A1 | TETRAHYDROBENZAZEPINES AS HISTAMINE H3 RECEPTOR LIGANDS | GLAXO GROUP LIMITED (GB) | 2005-10-20 | — | — | WO | disclosed |
| WO-2005087746-A1 | BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS | GLAXO GROUP LIMITED (GB) | 2005-09-22 | — | — | WO | disclosed |