Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CASP4 | P49662 | 1/20 | 0.40 |
| ▸ | CASP5 | P51878 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CDK4 | P11802 | 1/20 | 0.34 |
| ▸ | CCND1 | P24385 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | CCR2 | P41597 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MAP3K7 | O43318 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8000723 | 1.00 | CASP1 (0.40) | CASP1CASP4CASP5ALDH1A1MAPT | |
| SCHEMBL8012613 | 0.99 | CASP1 (0.40) | CASP1CASP4CASP5ALDH1A1MAPT | |
| SCHEMBL8012609 | 0.99 | CASP1 (0.40) | CASP1CASP4CASP5ALDH1A1MAPT | |
| SCHEMBL8009854 | 0.93 | HRH3 (0.37) | ALDH1A1CNR1EGFRMEN1KMT2A | |
| SCHEMBL8009849 | 0.93 | HRH3 (0.37) | ALDH1A1CNR1EGFRMEN1KMT2A | |
| SCHEMBL8010035 | 0.93 | CASP1 (0.39) | CASP1CASP4CASP5ALDH1A1MAPT | |
| SCHEMBL8010033 | 0.93 | CASP1 (0.39) | CASP1CASP4CASP5ALDH1A1MAPT | |
| SCHEMBL8009241 | 0.93 | IRAK4 (0.35) | CASP1CASP4CASP5ALDH1A1MAPT | |
| SCHEMBL8009239 | 0.93 | IRAK4 (0.35) | CASP1CASP4CASP5ALDH1A1MAPT | |
| SCHEMBL8001515 | 0.92 | CASP1 (0.39) | CASP1CASP4CASP5ALDH1A1MAPT |
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-6043254-A | ANTIPROLIFERATIVE AGENT; ENZYME INHIBITOR | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2000-03-28 | — | — | US | disclosed |