Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.54 |
| ▸ | FBP1 | P09467 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | GSK3B | P49841 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.38 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16612946 | 0.89 | ADORA2A (0.44) | ADORA2AFBP1KDM4EALDH1A1KMT2A | |
| SCHEMBL17746046 | 0.85 | MAPK14 (0.45) | ADORA2AFBP1KDM4EGSK3BALDH1A1 | |
| SCHEMBL16612795 | 0.84 | KDM4E (0.43) | ADORA2AKDM4EALDH1A1KMT2AMEN1 | |
| SCHEMBL16613030 | 0.84 | KMO (0.42) | ADORA2AKDM4EALDH1A1HSD17B10HCRTR1 | |
| SCHEMBL15189624 | 0.84 | MEN1 (0.46) | ADORA2AKDM4EALDH1A1KMT2AMEN1 | |
| SCHEMBL15189739 | 0.83 | GSK3B (0.51) | KDM4EGSK3BALDH1A1KMT2AMEN1 | |
| SCHEMBL16612942 | 0.82 | GSK3B (0.47) | ADORA2AGSK3BKMT2AMEN1PTPN1 | |
| SCHEMBL16612913 | 0.81 | NOTUM (0.45) | ADORA2AHCRTR2 | |
| SCHEMBL15189706 | 0.81 | GSK3B (0.51) | KDM4EGSK3BALDH1A1KMT2AMEN1 | |
| SCHEMBL16612964 | 0.80 | NOTUM (0.44) | ADORA2AKDM4EALDH1A1HCRTR2MAPT |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2648724-B1 | HYDROXYLATED AMINOTRIAZOLE DERIVATIVES AS ALX RECEPTOR AGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2016-09-21 | — | — | EP | claimed |
| EP-2440555-B1 | FLUORINATED AMINOTRIAZOLE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2016-05-18 | — | — | EP | claimed |
| EP-2675801-B1 | NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2015-04-08 | — | — | EP | claimed |
| EP-1742925-B1 | SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS | GRUENENTHAL GMBH (DE) | 2014-04-23 | — | — | EP | claimed |
| EP-2242743-B1 | AMINOPYRAZOLE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2013-08-21 | — | — | EP | claimed |
| EP-1742925-B1 | SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS | GRUENENTHAL GMBH (DE) | 2014-04-23 | — | — | EP | disclosed |
| EP-1742925-A1 | SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS | Grünenthal GmbH (DE) | 2007-01-17 | — | — | EP | disclosed |
| WO-2005105759-A1 | SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS | Grünenthal GmbH (DE) | 2005-11-10 | — | — | WO | disclosed |