Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 3/20 | 0.37 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL314999 | 0.93 | ALDH1A1 (0.52) | ALDH1A1KDM4EMAPTGAAL3MBTL1 | |
| SCHEMBL315901 | 0.92 | ALDH1A1 (0.52) | ALDH1A1KDM4EMAPTGAAL3MBTL1 | |
| SCHEMBL316601 | 0.91 | ALDH1A1 (0.49) | ALDH1A1KDM4EMAPTMAPK1GAA | |
| SCHEMBL315505 | 0.87 | ALDH1A1 (0.49) | ALDH1A1GAAL3MBTL1POLBAKT1 | |
| SCHEMBL316384 | 0.86 | ALDH1A1 (0.49) | ALDH1A1KDM4EMAPTMAPK1GAA | |
| SCHEMBL316364 | 0.79 | ALDH1A1 (0.44) | ALDH1A1KDM4EMAPTGAAL3MBTL1 | |
| SCHEMBL12589468 | 0.78 | ALDH1A1 (0.57) | ALDH1A1KDM4EMAPTMAPK1GAA | |
| SCHEMBL12589547 | 0.73 | ALDH1A1 (0.55) | ALDH1A1KDM4EGAAL3MBTL1POLB | |
| SCHEMBL2058346 | 0.72 | ALDH1A1 (0.72) | ALDH1A1KDM4EGAAL3MBTL1POLB | |
| SCHEMBL1594441 | 0.72 | ALDH1A1 (0.59) | ALDH1A1KDM4EGAAL3MBTL1POLB |
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 |