Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | GNAO1 | P09471 | 2/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 10/20 | 0.40 |
| ▸ | ITGA2B | P08514 | 10/20 | 0.40 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.39 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | ITGAV | P06756 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | F2R | P25116 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL7447186 | 0.81 | GNAO1 (0.43) | ALDH1A1LMNAKDM4EHTTGNAO1 | |
| SCHEMBL18637309 | 0.77 | GPR119 (0.42) | ALDH1A1LMNAKDM4EHTTSMN1; SMN2 | |
| SCHEMBL18637334 | 0.76 | ALDH1A1 (0.52) | ALDH1A1LMNAKDM4EHTTMAPT | |
| SCHEMBL7454474 | 0.74 | ALDH1A1 (0.37) | ALDH1A1GNAO1ITGB3ITGA2BGNAI3 | |
| SCHEMBL7450677 | 0.73 | ITGB3 (0.40) | ALDH1A1LMNAKDM4EGNAO1ITGB3 | |
| SCHEMBL2846483 | 0.73 | ALDH1A1 (0.52) | ALDH1A1HTTGNAO1GNAI3GNAI1 | |
| SCHEMBL13610213 | 0.73 | ALDH1A1 (0.52) | ALDH1A1HTTGNAO1GNAI3GNAI1 | |
| SCHEMBL7455215 | 0.73 | GNAO1 (0.47) | KDM4EGNAO1ITGB3ITGA2BGNAI3 | |
| SCHEMBL16016681 | 0.72 | TSHR (0.33) | — | |
| SCHEMBL7446777 | 0.72 | GNAO1 (0.40) | ALDH1A1KDM4EGNAO1ITGB3ITGA2B |
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 |
|---|---|---|---|---|---|---|---|
| EP-2760855-B1 | SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AS WELL AS THEIR USE IN TREATING TYPE-2 DIABETES | MERCK SHARP & DOHME (US) | 2017-03-15 | — | — | EP | disclosed |