Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.37 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.33 |
| ▸ | HHAT | Q5VTY9 | 4/20 | 0.32 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.32 |
| ▸ | CLPP | Q16740 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.31 |
| ▸ | MTNR1A | P48039 | 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 | |
|---|---|---|---|---|
| SCHEMBL2126330 | 0.88 | ABCB1 (0.39) | ABCB1ABCG2RAB9AMAPTKDM4E | |
| SCHEMBL2121308 | 0.84 | ESR1 (0.34) | ABCB1ABCG2ESR1KDM4C | |
| SCHEMBL2122590 | 0.81 | ESR1 (0.47) | ABCB1ABCG2RAB9AMAPTESR1 | |
| SCHEMBL2122270 | 0.79 | — | — | |
| SCHEMBL3660736 | 0.79 | HDAC6 (0.35) | ABCB1ABCG2KDM4EMTNR1BHHAT | |
| SCHEMBL2121978 | 0.78 | ABCB1 (0.39) | ABCB1ABCG2RAB9AMAPTESR1 | |
| SCHEMBL3723041 | 0.78 | S1PR1 (0.34) | — | |
| SCHEMBL2123219 | 0.77 | MTNR1B (0.43) | MTNR1BHHATMTNR1A | |
| SCHEMBL2122064 | 0.76 | ABCB1 (0.43) | ABCB1ABCG2RAB9AMAPTKDM4E | |
| SCHEMBL3657289 | 0.74 | MTNR1B (0.37) | MTNR1BHDAC6MTNR1A |
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 |