Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.46 |
| ▸ | MKNK1 | Q9BUB5 | 8/20 | 0.44 |
| ▸ | MKNK2 | Q9HBH9 | 8/20 | 0.44 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.40 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.40 |
| ▸ | CCNK | O75909 | 1/20 | 0.40 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | HPGDS | O60760 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8866847 | 0.95 | GPR119 (0.45) | APPMKNK1MKNK2GPR119THRB | |
| SCHEMBL9281434 | 0.88 | APP (0.45) | APPMKNK1MKNK2GPR119ALDH1A3 | |
| SCHEMBL8866503 | 0.86 | TP53 (0.42) | MKNK1MKNK2GPR119THRBTP53 | |
| SCHEMBL8866928 | 0.85 | THRB (0.42) | THRBTP53ALDH1A3HPGDS | |
| SCHEMBL8866171 | 0.83 | THRB (0.42) | THRBTP53ALDH1A3CYP3A4HPGDS | |
| SCHEMBL8866605 | 0.83 | THRB (0.42) | THRBTP53ALDH1A3HPGDS | |
| Trifluoroacetic Acid SCHEMBL8867174 | 0.83 | GPR6 (0.45) | APPMKNK1MKNK2ALDH1A3EPHX2 | |
| SCHEMBL9277027 | 0.82 | GPR119 (0.44) | APPMKNK1MKNK2GPR119ALDH1A3 | |
| SCHEMBL8866736 | 0.81 | ALDH1A1 (0.41) | GPR119THRBTP53HPGDS | |
| SCHEMBL8866447 | 0.77 | SUV39H2 (0.46) | THRBTP53CYP3A4 |
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-5614531-A | Adhesion receptor antagonists | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1997-03-25 | — | — | US | disclosed |