Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | GPR17 | Q13304 | 2/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | PPARD | Q03181 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1175768 | 0.78 | NPSR1 (0.47) | NPSR1GPR17FFAR1L3MBTL1LMNA | |
| SCHEMBL17058862 | 0.77 | LMNA (0.31) | L3MBTL1LMNA | |
| Ammonia Solution, Strong SCHEMBL27773404 | 0.77 | NPSR1 (0.46) | NPSR1GPR17FFAR1L3MBTL1LMNA | |
| SCHEMBL28797366 | 0.75 | POLB (0.41) | POLBGPR17FFAR1LMNAS1PR1 | |
| SCHEMBL1174273 | 0.73 | NPSR1 (0.49) | NPSR1GPR17FFAR1L3MBTL1S1PR1 | |
| SCHEMBL27773403 | 0.72 | NPSR1 (0.47) | NPSR1GPR17FFAR1L3MBTL1LMNA | |
| SCHEMBL27697710 | 0.71 | ALDH1A1 (0.41) | POLBP2RX3KDM4EALDH1A1HPGD | |
| SCHEMBL29188156 | 0.71 | NPSR1 (0.53) | NPSR1POLBGPR17FFAR1L3MBTL1 | |
| SCHEMBL1174838 | 0.71 | NPSR1 (0.46) | NPSR1GPR17FFAR1L3MBTL1LMNA | |
| SCHEMBL3712101 | 0.70 | NPSR1 (0.44) | NPSR1POLBGPR17FFAR1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101146529-B | Novel thiophene derivatives as sphingosine-1-phosphate-1 receptor agonists | ACTELION PHARMACEUTICALS LTD | 2012-08-29 | — | — | CN | disclosed |
| CN-101370496-B | Novel thiophene derivatives as S1P1/EDG1 receptor agonists | ACTELION PHARMACEUTICALS LTD | 2012-07-04 | — | — | CN | disclosed |
| CN-101370496-A | Novel thiophene derivatives as S1P1/EDG1 receptor agonists | ACTELION PHARMACEUTICALS LTD (CH) | 2009-02-18 | — | — | CN | disclosed |
| CN-101146529-A | Novel thiophene derivatives as sphingosine-1-phosphate-1 receptor agonists | ACTELION PHARMACEUTICALS LTD (CH) | 2008-03-19 | — | — | CN | disclosed |