Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SUV39H2 | Q9H5I1 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.41 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.41 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ACACB | O00763 | 3/20 | 0.39 |
| ▸ | ACACA | Q13085 | 3/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | ATR | Q13535 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8865883 | 0.90 | PRSS1 (0.53) | SUV39H2SMN1; SMN2MAPTPRSS1PRSS2 | |
| Water SCHEMBL8867564 | 0.89 | PRSS1 (0.52) | SUV39H2SMN1; SMN2MAPTPRSS1PRSS2 | |
| SCHEMBL9235823 | 0.88 | SUV39H2 (0.44) | SUV39H2SMN1; SMN2CHRM4THRB | |
| SCHEMBL8866874 | 0.86 | SUV39H2 (0.44) | SUV39H2ALDH1A1ACACBACACACHRM4 | |
| SCHEMBL8866339 | 0.85 | SUV39H2 (0.43) | SUV39H2MGLLCHRM4THRB | |
| SCHEMBL8866335 | 0.84 | MKNK1 (0.43) | SUV39H2MAPT | |
| SCHEMBL8866386 | 0.83 | SUV39H2 (0.39) | SUV39H2SMN1; SMN2ALDH1A1CHRM4NPC1 | |
| Trifluoroacetic Acid SCHEMBL8866457 | 0.83 | ITGB3 (0.47) | SUV39H2SMN1; SMN2MAPTPRSS1PRSS2 | |
| SCHEMBL8866426 | 0.82 | SUV39H2 (0.42) | SUV39H2CHRM4 | |
| SCHEMBL9235439 | 0.81 | SUV39H2 (0.43) | SUV39H2CHRM4THRB |
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 |
|---|---|---|---|---|---|---|---|
| US-5614531-A | Adhesion receptor antagonists | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1997-03-25 | — | — | US | disclosed |
| EP-0668278-A1 | Adhesion receptor antagonists | MERCK PATENT GmbH (DE) | 1995-08-23 | — | — | EP | disclosed |