Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 4/20 | 0.44 |
| ▸ | MMP13 | P45452 | 4/20 | 0.44 |
| ▸ | MMP9 | P14780 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL27611648 | 0.76 | SMN1; SMN2 (0.52) | MMP1MMP13MMP9SMN1; SMN2HIF1A | |
| SCHEMBL6929523 | 0.71 | MMP1 (0.77) | MMP1MMP13MMP9PPARGPPARA | |
| SCHEMBL12913453 | 0.69 | MMP13 (0.46) | MMP1MMP13MMP9SMN1; SMN2HIF1A | |
| SCHEMBL3818364 | 0.69 | SMN1; SMN2 (0.55) | SMN1; SMN2HIF1APPARGPPARAALDH1A1 | |
| SCHEMBL3818366 | 0.69 | SMN1; SMN2 (0.55) | SMN1; SMN2HIF1APPARGPPARAALDH1A1 | |
| Hydrochloric Acid SCHEMBL8909941 | 0.68 | MMP1 (0.40) | MMP1MMP13MMP9SMN1; SMN2HIF1A | |
| SCHEMBL6933614 | 0.68 | MMP1 (0.76) | MMP1MMP13MMP9SMN1; SMN2HIF1A | |
| SCHEMBL8710382 | 0.67 | SMN1; SMN2 (0.57) | SMN1; SMN2HIF1APPARGPPARAALDH1A1 | |
| SCHEMBL27908890 | 0.67 | SMN1; SMN2 (0.57) | SMN1; SMN2HIF1APPARGPPARAALDH1A1 | |
| SCHEMBL517462 | 0.67 | SMN1; SMN2 (0.57) | SMN1; SMN2HIF1APPARGPPARAALDH1A1 |
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-5688946-A | DIPEPTIDES FOR HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS | HOFFMANN LA ROCHE INC. (US) | 1997-11-18 | — | — | US | disclosed |