Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CETP | P11597 | 2/20 | 0.40 |
| ▸ | MKNK1 | Q9BUB5 | 3/20 | 0.40 |
| ▸ | MKNK2 | Q9HBH9 | 3/20 | 0.40 |
| ▸ | SUV39H2 | Q9H5I1 | 4/20 | 0.39 |
| ▸ | TACR3 | P29371 | 1/20 | 0.38 |
| ▸ | EGLN2 | Q96KS0 | 2/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.37 |
| ▸ | KCNK9 | Q9NPC2 | 2/20 | 0.37 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.37 |
| ▸ | CCNC | P24863 | 1/20 | 0.37 |
| ▸ | CDK8 | P49336 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8865989 | 0.92 | SUV39H2 (0.41) | MKNK1MKNK2SUV39H2TACR3EGLN2 | |
| SCHEMBL8866816 | 0.87 | MKNK1 (0.42) | MKNK1MKNK2SUV39H2EGLN2CYP11B1 | |
| SCHEMBL8868301 | 0.85 | CETP (0.45) | CETPMKNK1MKNK2SUV39H2EGLN2 | |
| SCHEMBL8866503 | 0.84 | TP53 (0.42) | MKNK1MKNK2SUV39H2EGLN2 | |
| SCHEMBL9283018 | 0.82 | GPR119 (0.41) | CETPMKNK1MKNK2SUV39H2EGLN2 | |
| Water SCHEMBL9283601 | 0.82 | GPR119 (0.41) | CETPMKNK1MKNK2SUV39H2EGLN2 | |
| SCHEMBL8866999 | 0.81 | KCNA5 (0.44) | MKNK1MKNK2SUV39H2EGLN2HRH3 | |
| SCHEMBL8867140 | 0.81 | EGLN2 (0.42) | SUV39H2EGLN2CHRM4 | |
| SCHEMBL8867371 | 0.79 | APP (0.40) | SUV39H2EGLN2HRH3CHRM4 | |
| SCHEMBL8866536 | 0.78 | SUV39H2 (0.43) | SUV39H2EGLN2CHRM4 |
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 |