Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 8/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | TTR | P02766 | 2/20 | 0.34 |
| ▸ | RBP4 | P02753 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | RARA | P10276 | 1/20 | 0.33 |
| ▸ | RARB | P10826 | 1/20 | 0.33 |
| ▸ | RARG | P13631 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.32 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.32 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.32 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.32 |
| ▸ | NR1H3 | Q13133 | 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 | |
|---|---|---|---|---|
| SCHEMBL536177 | 0.86 | S1PR1 (0.39) | S1PR1S1PR3POLBMAPTHTT | |
| SCHEMBL536674 | 0.81 | S1PR1 (0.39) | S1PR1S1PR3KDM4EPOLBMAPT | |
| SCHEMBL406995 | 0.81 | S1PR1 (0.49) | S1PR1KDM4EPOLBMAPTHTT | |
| SCHEMBL536178 | 0.79 | S1PR1 (0.39) | S1PR1S1PR3KDM4EMAPTHTT | |
| SCHEMBL1725667 | 0.76 | S1PR1 (0.48) | S1PR1KDM4ETTRPOLBMAPT | |
| SCHEMBL536230 | 0.75 | RORC (0.42) | S1PR1RARB | |
| SCHEMBL534781 | 0.74 | S1PR1 (0.40) | S1PR1TTRRBP4RARARARB | |
| SCHEMBL2482448 | 0.72 | S1PR1 (0.35) | S1PR1KDM4E | |
| SCHEMBL407578 | 0.72 | TRPA1 (0.50) | S1PR1S1PR3TTR | |
| SCHEMBL410339 | 0.72 | AKR1C3 (0.47) | KDM4ETTRPOLBMAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010069949-A1 | OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS | MERCK SERONO S.A. (CH) | 2010-06-24 | — | — | WO | disclosed |