Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | UBE2M | P61081 | 1/20 | 0.36 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 2/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL315505 | 0.92 | ALDH1A1 (0.49) | ALDH1A1GAAPOLBL3MBTL1AKT1 | |
| SCHEMBL316103 | 0.91 | ALDH1A1 (0.51) | ALDH1A1MAPK11MAPK14AKT3GAA | |
| SCHEMBL315901 | 0.91 | ALDH1A1 (0.52) | ALDH1A1GAAPOLBL3MBTL1MCHR1 | |
| SCHEMBL314999 | 0.87 | ALDH1A1 (0.52) | ALDH1A1MAPK11MAPK14GAAPOLB | |
| SCHEMBL316384 | 0.85 | ALDH1A1 (0.49) | ALDH1A1GAAPOLBL3MBTL1MAPT | |
| SCHEMBL1597145 | 0.79 | ALDH1A1 (0.54) | ALDH1A1AKT3GAAPOLBL3MBTL1 | |
| SCHEMBL315879 | 0.72 | CCR1 (0.44) | ALDH1A1MAPK11MAPK14MAPTDRD2 | |
| SCHEMBL12589547 | 0.71 | ALDH1A1 (0.55) | ALDH1A1GAAPOLBL3MBTL1AKT1 | |
| SCHEMBL12589468 | 0.71 | ALDH1A1 (0.57) | ALDH1A1AKT3GAAL3MBTL1MAPT | |
| SCHEMBL2058346 | 0.71 | ALDH1A1 (0.72) | ALDH1A1GAAPOLBL3MBTL1KDM4E |
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-8093272-B2 | Heteroaryl substituted cyclohexyl-1,4-diamine compounds | GRUENENTHAL GMBH (DE) | 2012-01-10 | — | — | US | claimed |
| US-8093272-B2 | Heteroaryl substituted cyclohexyl-1,4-diamine compounds | GRUENENTHAL GMBH (DE) | 2012-01-10 | — | — | US | disclosed |