Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 14/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 12/20 | 0.44 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SCN1A | P35498 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.38 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL5669989 | 0.91 | ESR1 (0.38) | ESR1ESR2GRIN1GRIN2BKDM4E | |
| SCHEMBL4637685 | 0.87 | NR1H2 (0.39) | ESR1KDM4EABCB11ALDH1A1POLB | |
| SCHEMBL5170176 | 0.86 | SLC18A2 (0.36) | ESR1KDM4EABCB11ALDH1A1POLB | |
| SCHEMBL5551732 | 0.85 | MTNR1B (0.50) | ESR1ESR2GRIN1GRIN2BKDM4E | |
| SCHEMBL5170187 | 0.85 | SLC18A2 (0.36) | KDM4EABCB11ALDH1A1POLBHTR1A | |
| SCHEMBL2120757 | 0.84 | PPARD (0.39) | KDM4EABCB11ALDH1A1POLBHTR1A | |
| SCHEMBL5243261 | 0.83 | HTR1A (0.41) | ALDH1A1HTR1AADRA2ATSHRHTR2B | |
| SCHEMBL5245980 | 0.83 | ALDH1A1 (0.40) | ALDH1A1HTR1A | |
| SCHEMBL2122591 | 0.82 | ESR1 (0.45) | ESR1KDM4EABCB11ALDH1A1POLB | |
| SCHEMBL5165139 | 0.82 | GRIN1 (0.54) | GRIN1GRIN2B |
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 |