Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 3/20 | 0.42 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.37 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.37 |
| ▸ | DGAT1 | O75907 | 4/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
| ▸ | RAF1 | P04049 | 1/20 | 0.34 |
| ▸ | MAP4K1 | Q92918 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | IL2 | P60568 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CLK1 | P49759 | 1/20 | 0.34 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.34 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.34 |
| ▸ | CDK4 | P11802 | 1/20 | 0.34 |
| ▸ | CCND1 | P24385 | 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 | |
|---|---|---|---|---|
| SCHEMBL900018 | 0.84 | DGAT1 (0.55) | DGAT1 | |
| SCHEMBL901499 | 0.77 | DGAT1 (0.61) | DGAT1 | |
| SCHEMBL902206 | 0.72 | DGAT1 (0.61) | DGAT1NPC1CBFB | |
| SCHEMBL18790540 | 0.68 | DHODH (0.47) | S1PR1DGAT1DHODHRAF1KDM4E | |
| SCHEMBL902783 | 0.68 | DGAT1 (0.45) | DGAT1MAP4K1CLK1HIPK2CLK4 | |
| SCHEMBL18790847 | 0.67 | NPC1 (0.45) | DGAT1DHODHRAF1ALDH1A1KDM4E | |
| SCHEMBL28027631 | 0.67 | TNKS (0.54) | ALDH1A1HPGDHSD17B10KDM4ENPC1 | |
| SCHEMBL16526751 | 0.67 | S1PR1 (0.53) | S1PR1DGAT1DHODHKDM4ENPC1 | |
| SCHEMBL5201225 | 0.66 | PDE4A (0.41) | ALDH1A1TP53SMN1; SMN2 | |
| SCHEMBL25796475 | 0.63 | DHODH (0.40) | S1PR1DHODHRAF1S1PR5 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012044567-A2 | IMIDAZOLE DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2012-04-05 | — | — | WO | disclosed |