Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | KMO | O15229 | 2/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.43 |
| ▸ | TRPM8 | Q7Z2W7 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | THPO | P40225 | 1/20 | 0.43 |
| ▸ | PLK4 | O00444 | 1/20 | 0.42 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.42 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3003054 | 0.84 | PIN1 (0.55) | PIN1KDM4ESMN1; SMN2KMOTRPM8 | |
| SCHEMBL496405 | 0.84 | KDM4E (0.71) | KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10 | |
| SCHEMBL496182 | 0.83 | ALDH1A1 (0.69) | PIN1KDM4ESMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL269961 | 0.83 | PIN1 (0.57) | PIN1KDM4ESMN1; SMN2KMOTRPM8 | |
| SCHEMBL1971006 | 0.83 | KDM4E (0.51) | PIN1KDM4ESMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL496585 | 0.83 | ALDH1A1 (0.55) | PIN1KDM4ESMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL5048775 | 0.82 | ALDH1A1 (0.52) | PIN1KDM4ESMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL496233 | 0.82 | KDM4E (0.52) | KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10 | |
| SCHEMBL9586435 | 0.81 | CYP1A2 (0.54) | KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10 | |
| SCHEMBL2550598 | 0.80 | ALDH1A1 (0.58) | PIN1KDM4ESMN1; SMN2ALDH1A1HPGD |
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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2188282-B1 | 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2013-01-23 | — | — | EP | claimed |
| CN-101778846-B | 1, 2-diamido-ethylene derivatives as orexin antagonists | ACTELION PHARMACEUTICALS LTD | 2012-11-14 | — | — | CN | claimed |
| CN-102164896-A | Phenethylamide derivatives and their heterocyclic analogues | ACTELION PHARMACEUTICALS LTD | 2011-08-24 | — | — | CN | claimed |
| CN-101778846-A | 1, 2-diamido-ethylene derivatives as orexin antagonists | ACTELION PHARMACEUTICALS LTD | 2010-07-14 | — | — | CN | claimed |
| EP-2188282-A2 | 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2010-05-26 | — | — | EP | claimed |
| WO-2010044054-A1 | PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES | ACTELION PHARMACEUTICALS LTD (CH) | 2010-04-22 | — | — | WO | claimed |
| WO-2009022311-A2 | 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2009-02-19 | — | — | WO | claimed |
| EP-2188282-B1 | 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2013-01-23 | — | — | EP | disclosed |
| CN-101730696-B | 3-aza-bicyclo [3.3.0] octane compounds | ACTELION PHARMACEUTICALS LTD | 2013-01-09 | — | — | CN | disclosed |
| CN-101778846-B | 1, 2-diamido-ethylene derivatives as orexin antagonists | ACTELION PHARMACEUTICALS LTD | 2012-11-14 | — | — | CN | disclosed |
| CN-101874030-B | Pyrrolidines and piperidines as orexin receptor antagonists | ACTELION PHARMACEUTICALS LTD | 2012-11-14 | — | — | CN | disclosed |
| US-8288435-B2 | 2-aza-bicyclo[3.1.0]hexane derivatives as orexin receptor antagonists | ACTELION PHARMACEUTICALS LTD. (CH) | 2012-10-16 | — | — | US | disclosed |
| US-8236801-B2 | 2-aza-bicyclo[2.2.1]heptane derivatives | ACTELION PHARMACEUTICALS LTD. (CH) | 2012-08-07 | — | — | US | disclosed |
| WO-2009022311-A2 | 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2009-02-19 | — | — | WO | disclosed |
| WO-2009016560-A2 | TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2009-02-05 | — | — | WO | disclosed |
| WO-2009004584-A1 | 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS | ACTELION PHARMACEUTICALS LTD (CH) | 2009-01-08 | — | — | WO | disclosed |
| WO-2008087611-A2 | PYRROLIDINE- AND PIPERIDINE- BIS-AMIDE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2008-07-24 | — | — | WO | disclosed |
| WO-2008081399-A2 | 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2008-07-10 | — | — | WO | disclosed |
| WO-2008038251-A2 | 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2008-04-03 | — | — | WO | disclosed |
| WO-2008038251-A2 | 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2008-04-03 | — | — | WO | disclosed |