Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 4/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 3/20 | 0.36 |
| ▸ | DRD2 | P14416 | 3/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2122368 | 0.87 | ESR1 (0.46) | ABCB1ABCG2ESR1ESR2 | |
| SCHEMBL5241833 | 0.86 | ESR1 (0.35) | ABCB1ABCG2ESR1 | |
| SCHEMBL2123453 | 0.85 | NOTUM (0.41) | ABCB1ABCG2DRD2 | |
| SCHEMBL5242482 | 0.83 | ABCB1 (0.33) | ABCB1ABCG2ESR1 | |
| SCHEMBL5243955 | 0.83 | STS (0.36) | ABCB1ABCG2ESR1OPRD1OPRK1 | |
| SCHEMBL2123007 | 0.81 | ABCB1 (0.32) | ABCB1ABCG2MTNR1B | |
| SCHEMBL2124394 | 0.81 | DRD2 (0.47) | DRD2 | |
| SCHEMBL5240612 | 0.80 | MEN1 (0.35) | ABCB1ABCG2 | |
| SCHEMBL2121803 | 0.79 | ESR1 (0.34) | ABCB1ABCG2ESR1 | |
| SCHEMBL2124647 | 0.78 | ESR1 (0.44) | ESR1ESR2HTR1A |
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 6 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-2222669-A1 | OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) | Glaxo Group Limited (GB) | 2010-09-01 | — | — | EP | disclosed |
| WO-2009080725-A1 | OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) | GLAXO GROUP LIMITED (GB) | 2009-07-02 | — | — | 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 |
| 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 |