Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR | Q13258 | 10/20 | 0.43 |
| ▸ | TBXA2R | P21731 | 9/20 | 0.43 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.43 |
| ▸ | PTGER3 | P43115 | 2/20 | 0.43 |
| ▸ | PTGER2 | P43116 | 2/20 | 0.43 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.43 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.43 |
| ▸ | PTGFR | P43088 | 1/20 | 0.43 |
| ▸ | TLR8 | Q9NR97 | 6/20 | 0.39 |
| ▸ | TLR7 | Q9NYK1 | 6/20 | 0.39 |
| ▸ | TLR9 | Q9NR96 | 4/20 | 0.39 |
| ▸ | NOS3 | P29474 | 2/20 | 0.35 |
| ▸ | NOS1 | P29475 | 2/20 | 0.35 |
| ▸ | NOS2 | P35228 | 2/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2923853 | 0.86 | PTGDR (0.53) | PTGDRTBXA2RPTGER1PTGER3PTGER2 | |
| SCHEMBL13629399 | 0.82 | PTGDR (0.39) | PTGDRTBXA2RPTGER1PTGER3PTGER2 | |
| SCHEMBL13176192 | 0.81 | PTGDR (0.43) | PTGDRTBXA2RPTGER1PTGER3PTGER2 | |
| SCHEMBL27710012 | 0.80 | PTGDR (0.39) | PTGDRTBXA2RPTGER1PTGER3PTGER2 | |
| SCHEMBL2018070 | 0.78 | GAA (0.37) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL2924355 | 0.77 | PTGDR (0.39) | PTGDRTBXA2RPTGER1PTGER3PTGER2 | |
| SCHEMBL2016666 | 0.77 | S1PR1 (0.41) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL1255167 | 0.76 | PTGDR (0.39) | PTGDRTBXA2RPTGER1PTGER3PTGER2 | |
| SCHEMBL27631925 | 0.73 | TBXA2R (0.44) | PTGDRTBXA2R | |
| SCHEMBL12320236 | 0.72 | S1PR1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101189011-A | Methods of treating atherosclerosis, lipid disorders and related conditions | MERCK & CO INC (US) | 2008-05-28 | — | — | CN | disclosed |
| CN-101056635-A | Niacin receptor agonists, compositions containing such compounds and methods of treatment | MERCK & CO INC (US) | 2007-10-17 | — | — | CN | disclosed |