Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | PIN1 | Q13526 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.39 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL269283 | 0.85 | PIN1 (0.57) | ALOX5PIN1HCRTR1HCRTR2 | |
| SCHEMBL924923 | 0.85 | KDM4E (0.58) | TSHRRECQLSMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL7158163 | 0.84 | HSD17B1 (0.48) | ALOX5PTPN1PIN1 | |
| SCHEMBL5698149 | 0.83 | MAP2K4 (0.44) | ALOX5PIN1PARP1 | |
| SCHEMBL80459 | 0.83 | ALOX5 (0.61) | ALOX5SMN1; SMN2PIN1KDM4EALDH1A1 | |
| SCHEMBL269961 | 0.83 | PIN1 (0.57) | ALOX5SMN1; SMN2PIN1KDM4EHCRTR1 | |
| SCHEMBL271164 | 0.83 | PIN1 (0.59) | PIN1KMT2AHCRTR1HCRTR2 | |
| SCHEMBL1339610 | 0.83 | HCRTR1 (0.47) | TSHRALOX5SMN1; SMN2PIN1KMT2A | |
| SCHEMBL269009 | 0.81 | PIN1 (0.61) | PTPN1SMN1; SMN2PIN1KDM4EALDH1A1 | |
| SCHEMBL1968352 | 0.80 | PIN1 (0.62) | TSHRALOX5PIN1ALDH1A1HSD17B10 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101874028-B | 2-aza-bicyclo[3.3.0]octane derivatives | ACTELION PHARMACEUTICALS LTD | 2012-11-14 | — | — | CN | disclosed |
| CN-101568536-B | 2-aza-bicyclo[3.1.0]hexane derivatives | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-12-28 | — | — | CN | disclosed |
| EP-2094690-B1 | 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2011-04-13 | — | — | EP | disclosed |
| CN-101874028-A | 2-aza-bicyclo[3.3.0]octane derivatives | ACTELION PHARMACEUTICALS LTD | 2010-10-27 | — | — | CN | disclosed |
| CN-101568536-A | 2-aza-bicyclo[3.1.0]hexane derivatives | ACTELION PHARMACEUTICALS LTD (CH) | 2009-10-28 | — | — | CN | disclosed |
| EP-2094690-A2 | 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2009-09-02 | — | — | EP | 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 |