Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 2/20 | 0.34 |
| ▸ | FAP | Q12884 | 2/20 | 0.34 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.34 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.34 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | ACE | P12821 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
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 | 0.88 | NOTUM (0.42) | NOTUMMTNR1BABCB1ABCG2AR | |
| SCHEMBL2121978 | 0.77 | ABCB1 (0.39) | NOTUMMTNR1BABCB1ABCG2AR | |
| SCHEMBL3664396 | 0.75 | NOTUM (0.38) | NOTUMARDRD4ALDH1A1HTR2C | |
| SCHEMBL2122064 | 0.72 | ABCB1 (0.43) | MTNR1BABCB1ABCG2ACEKDM4E | |
| SCHEMBL2123453 | 0.71 | NOTUM (0.41) | NOTUMABCB1ABCG2ARDRD4 | |
| SCHEMBL2123210 | 0.70 | MTNR1B (0.45) | MTNR1BDRD2 | |
| SCHEMBL2121421 | 0.69 | KIF11 (0.38) | MTNR1BDPP8DPP9DPP7ACE | |
| SCHEMBL3664188 | 0.68 | MTNR1B (0.39) | MTNR1BDPP4FAPDPP8DPP9 | |
| SCHEMBL2126330 | 0.68 | ABCB1 (0.39) | MTNR1BABCB1ABCG2ACEKDM4E | |
| SCHEMBL17670976 | 0.68 | DRD1 (0.61) | ARALDH1A1HTR2BKDM4E |
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 |