Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.43 |
| ▸ | DPP4 | P27487 | 3/20 | 0.41 |
| ▸ | DPP7 | Q9UHL4 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2543208 | 1.00 | ALDH1A1 (0.52) | ALDH1A1GAATSHRKCNH2DPP4 | |
| SCHEMBL2541639 | 0.85 | ALDH1A1 (0.45) | ALDH1A1GAATSHRKCNH2DPP4 | |
| SCHEMBL2541635 | 0.85 | ALDH1A1 (0.45) | ALDH1A1GAATSHRKCNH2DPP4 | |
| SCHEMBL2543399 | 0.85 | DPP4 (0.47) | ALDH1A1GAATSHRKCNH2DPP4 | |
| SCHEMBL2535504 | 0.85 | DPP4 (0.47) | ALDH1A1GAATSHRKCNH2DPP4 | |
| SCHEMBL2535506 | 0.85 | DPP4 (0.47) | ALDH1A1GAATSHRKCNH2DPP4 | |
| SCHEMBL2543394 | 0.85 | DPP4 (0.47) | ALDH1A1GAATSHRKCNH2DPP4 | |
| SCHEMBL2538301 | 0.82 | ALDH1A1 (0.41) | ALDH1A1GAATSHRKCNH2DPP4 | |
| SCHEMBL2538299 | 0.82 | ALDH1A1 (0.41) | ALDH1A1GAATSHRKCNH2DPP4 | |
| SCHEMBL1223261 | 0.81 | ALDH1A1 (0.45) | ALDH1A1GAATSHRKCNH2DPP4 |
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-2094267-B1 | 4-(1-AMINO-ETHYL)-CYCLOHEXYLAMINE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2015-04-22 | — | — | EP | disclosed |
| US-8044044-B2 | 4-(1-amino-ethyl)-cyclohexylamine derivatives | ACTELION PHARMACEUTICAL LTD. (CH) | 2011-10-25 | — | — | US | disclosed |
| EP-2094267-A2 | 4-(1-AMINO-ETHYL)-CYCLOHEXYLAMINE DERIVATIVES | Actelion Pharmaceuticals Ltd. (CH) | 2009-09-02 | — | — | EP | disclosed |
| WO-2008078305-A2 | 4-(1-AMINO-ETHYL)-CYCLOHEXYLAMINE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2008-07-03 | — | — | WO | disclosed |