Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.77 |
| ▸ | EDNRA | P25101 | 2/20 | 0.50 |
| ▸ | EDNRB | P24530 | 1/20 | 0.50 |
| ▸ | CNR1 | P21554 | 1/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.48 |
| ▸ | PTPRC | P08575 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 5/20 | 0.46 |
| ▸ | RAB9A | P51151 | 5/20 | 0.46 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.45 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6316764 | 0.90 | PTGS2 (0.87) | PTGS2EDNRAEDNRBALOX5PTPRC | |
| SCHEMBL4751583 | 0.87 | PTGS2 (1.00) | PTGS2EDNRAEDNRBALOX5PTPRC | |
| SCHEMBL27765776 | 0.79 | CNR1 (0.56) | PTGS2CNR1ALOX5PTPRCNPC1 | |
| SCHEMBL8853342 | 0.77 | EDNRA (0.58) | PTGS2EDNRAEDNRB | |
| SCHEMBL4789136 | 0.72 | PTGS2 (0.72) | PTGS2EDNRAEDNRBPTPRCNPC1 | |
| SCHEMBL29826933 | 0.71 | MAOB (0.56) | NPC1RAB9AMAP2K4MAOBMAPT | |
| SCHEMBL409478 | 0.71 | MAOB (0.56) | NPC1RAB9AMAP2K4MAOBMAPT | |
| SCHEMBL6675332 | 0.70 | MEN1 (0.43) | PTGS2KMT2AMEN1HPGDTNKS | |
| SCHEMBL6429372 | 0.69 | SMN1; SMN2 (0.57) | MAPTKDM4EALDH1A1SMN1; SMN2TP53 | |
| SCHEMBL14882034 | 0.69 | GAPDH (0.65) | ALOX5NPC1RAB9AMAOBMAPT |
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-1998041521-A1 | ENDOTHELIN RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 1998-09-24 | — | — | WO | disclosed |