Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.32 |
| ▸ | HHAT | Q5VTY9 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2121619 | 0.87 | NOTUM (0.42) | ABCB1ABCG2MAPTRAB9AKDM4E | |
| SCHEMBL2122590 | 0.84 | ESR1 (0.47) | ABCB1ABCG2MAPTRAB9AKDM4E | |
| SCHEMBL2121803 | 0.82 | ESR1 (0.34) | ABCB1ABCG2MAPTRAB9AS1PR1 | |
| SCHEMBL2122271 | 0.78 | ABCB1 (0.37) | ABCB1ABCG2MAPTRAB9AKDM4E | |
| SCHEMBL2121976 | 0.77 | NOTUM (0.36) | NOTUMAR | |
| SCHEMBL3664397 | 0.77 | NOTUM (0.36) | ABCB1ABCG2KDM4ES1PR1MTNR1B | |
| SCHEMBL2122064 | 0.77 | ABCB1 (0.43) | ABCB1ABCG2MAPTRAB9AKDM4E | |
| SCHEMBL2123210 | 0.77 | MTNR1B (0.45) | MTNR1B | |
| SCHEMBL2123545 | 0.76 | S1PR1 (0.54) | S1PR1 | |
| SCHEMBL2122503 | 0.76 | ABCB1 (0.36) | ABCB1ABCG2MAPTRAB9AKDM4E |
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 4 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-2225233-A1 | OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (S1P) | Glaxo Group Limited (GB) | 2010-09-08 | — | — | EP | disclosed |
| WO-2009080724-A1 | OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (S1P) | GLAXO GROUP LIMITED (GB) | 2009-07-02 | — | — | WO | disclosed |