Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.32 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.32 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.32 |
| ▸ | ACE | P12821 | 1/20 | 0.32 |
| ▸ | HHAT | Q5VTY9 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
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 | 0.89 | ABCB1 (0.39) | HDAC6ABCB1ABCG2MTNR1BACE | |
| SCHEMBL2122271 | 0.79 | ABCB1 (0.37) | HDAC6ABCB1ABCG2MTNR1BHHAT | |
| SCHEMBL3660735 | 0.78 | — | — | |
| SCHEMBL3664397 | 0.76 | NOTUM (0.36) | ABCB1ABCG2MTNR1BACEKDM4E | |
| SCHEMBL2122064 | 0.71 | ABCB1 (0.43) | ABCB1ABCG2MTNR1BACEHHAT | |
| SCHEMBL3657289 | 0.70 | MTNR1B (0.37) | HDAC6MTNR1B | |
| SCHEMBL2126327 | 0.69 | PKM (0.32) | KDM4E | |
| SCHEMBL2121421 | 0.69 | KIF11 (0.38) | MTNR1BACE | |
| SCHEMBL2121308 | 0.65 | ESR1 (0.34) | ABCB1ABCG2 | |
| SCHEMBL2122590 | 0.64 | ESR1 (0.47) | ABCB1ABCG2MTNR1BHHATKDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2222670-A1 | OXADIAZOLE DERIVATIVES FOR USE AS S1P1 AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS | Glaxo Group Limited (GB) | 2010-09-01 | — | — | EP | disclosed |
| WO-2009080729-A1 | OXADIAZOLE DERIVATIVES FOR USE AS S1P1 AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS | GLAXO GROUP LIMITED (GB) | 2009-07-02 | — | — | WO | disclosed |