Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.53 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 6/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | MAPK14 | Q16539 | 4/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2856997 | 0.85 | ALDH1A1 (0.57) | ALDH1A1MAPK1NR4A3MAPTGAA | |
| SCHEMBL2852492 | 0.81 | ALDH1A1 (0.53) | ALDH1A1MAPK1MAPTGAARAB9A | |
| SCHEMBL2857391 | 0.81 | ALDH1A1 (0.48) | ALDH1A1MAPK1NR4A3MAPTGAA | |
| SCHEMBL2854755 | 0.80 | ALDH1A1 (0.56) | ALDH1A1MAPK1MAPTGAARAB9A | |
| SCHEMBL2854719 | 0.80 | MAPT (0.55) | ALDH1A1MAPK1NR4A3MAPTGAA | |
| SCHEMBL2860824 | 0.80 | LMNA (0.57) | ALDH1A1MAPK1MAPTGAARAB9A | |
| SCHEMBL2853491 | 0.80 | ALDH1A1 (0.55) | ALDH1A1MAPK1MAPTGAARAB9A | |
| SCHEMBL2857176 | 0.79 | ALDH1A1 (0.46) | ALDH1A1MAPK1MAPTGAARAB9A | |
| SCHEMBL2855394 | 0.79 | ALDH1A1 (0.54) | ALDH1A1MAPK1NR4A3MAPTGAA | |
| SCHEMBL2861640 | 0.79 | ALDH1A1 (0.45) | ALDH1A1MAPK1NR4A3MAPTGAA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1745009-B1 | HETEROARYL SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2012-11-14 | — | — | EP | claimed |
| EP-1745009-B1 | HETEROARYL SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2012-11-14 | — | — | EP | disclosed |
| EP-1745009-A1 | HETEROARYL SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES | Grünenthal GmbH (DE) | 2007-01-24 | — | — | EP | disclosed |
| WO-2005110971-A1 | HETEROARYL SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES | Grünenthal GmbH (DE) | 2005-11-24 | — | — | WO | disclosed |