Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 4/20 | 0.39 |
| ▸ | CA2 | P00918 | 4/20 | 0.39 |
| ▸ | CA9 | Q16790 | 3/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | IKBKB | O14920 | 2/20 | 0.38 |
| ▸ | CHUK | O15111 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.35 |
| ▸ | STAT3 | P40763 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 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 | |
|---|---|---|---|---|
| SCHEMBL8610258 | 0.87 | PTGS2 (0.39) | PTGS2CA1CA2IKBKBCHUK | |
| SCHEMBL8529534 | 0.84 | SLC9A1 (0.39) | PTGS2PTGS1IKBKBCHUK | |
| SCHEMBL8528932 | 0.74 | XDH (0.40) | CA1CA2CA9IKBKBCHUK | |
| SCHEMBL8532246 | 0.73 | SLC9A1 (0.43) | — | |
| SCHEMBL27369644 | 0.73 | PTGS2 (0.36) | PTGS2IKBKBCHUK | |
| SCHEMBL28639795 | 0.66 | ALDH1A1 (0.46) | CA1CA2IKBKBCHUKALDH1A1 | |
| SCHEMBL6498907 | 0.66 | ALDH1A1 (0.61) | CA1CA2ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL8534063 | 0.66 | CA1 (0.42) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL20183136 | 0.65 | PTPN22 (0.43) | ALDH1A1SMN1; SMN2KDM4EPTPN22 | |
| SCHEMBL809394 | 0.65 | ALDH1A1 (0.59) | CA1CA2ALDH1A1SMN1; SMN2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-5807896-A | Arylbenzoylguanidines | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTING (DE) | 1998-09-15 | — | — | US | disclosed |