Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 14/20 | 0.60 |
| ▸ | DRD3 | P35462 | 12/20 | 0.60 |
| ▸ | DRD4 | P21917 | 2/20 | 0.55 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.49 |
| ▸ | HTR1D | P28221 | 3/20 | 0.48 |
| ▸ | HTR1B | P28222 | 3/20 | 0.48 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | HTR7 | P34969 | 1/20 | 0.47 |
| ▸ | HRH1 | P35367 | 1/20 | 0.47 |
| ▸ | HTR2B | P41595 | 1/20 | 0.47 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.44 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL774065 | 0.86 | DRD2 (0.64) | DRD2DRD3DRD4OPRM1KDM4E | |
| SCHEMBL81130 | 0.80 | DRD2 (0.74) | DRD2DRD3DRD4OPRM1KDM4E | |
| SCHEMBL12663322 | 0.80 | DRD2 (0.66) | DRD2DRD3DRD4OPRM1KDM4E | |
| SCHEMBL28369820 | 0.78 | AKR1C3 (0.52) | DRD2DRD3DRD4OPRM1AKR1C3 | |
| SCHEMBL13345546 | 0.78 | MEN1 (0.52) | DRD2DRD3KDM4EALDH1A1AKR1C3 | |
| SCHEMBL4429103 | 0.78 | ITGB3 (0.70) | S1PR1ITGB3ITGA2B | |
| SCHEMBL19035635 | 0.78 | DRD3 (0.60) | DRD2DRD3DRD4OPRM1KDM4E | |
| SCHEMBL3478431 | 0.76 | ALDH1A1 (0.59) | DRD2DRD3KDM4EALDH1A1HTR1A | |
| SCHEMBL12277698 | 0.75 | HTR5A (0.48) | DRD2DRD3DRD4OPRM1KDM4E | |
| SCHEMBL15756199 | 0.75 | OPRD1 (0.47) | S1PR1ITGB3ITGA2B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2376484-B1 | OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS | MERCK SERONO SA (CH) | 2015-04-22 | — | — | EP | disclosed |
| US-8741923-B2 | Oxadiazole fused heterocyclic derivatives useful for the treatment of multiple sclerosis | MERCK SERONO SA (CH) | 2014-06-03 | — | — | US | disclosed |
| WO-2010069949-A1 | OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS | MERCK SERONO S.A. (CH) | 2010-06-24 | — | — | WO | disclosed |