Known targets — ChEMBL curated mechanism
ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol
The experimentally established mechanism targets of Nonane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG known ✓ | P37231 | 7/20 | 0.55 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.55 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.55 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.65 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.55 |
| ▸ | PPARD | Q03181 | 7/20 | 0.55 |
| ▸ | PPARA | Q07869 | 7/20 | 0.55 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.55 |
| ▸ | TSHR | P16473 | 4/20 | 0.55 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | TLR2 | O60603 | 2/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | FABP4 | P15090 | 2/20 | 0.55 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.55 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.55 |
| ▸ | ESR1 | P03372 | 1/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.55 |
| ▸ | PDE4A | P27815 | 1/20 | 0.55 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| Octane SCHEMBL7172991 | 1.00 | HCAR2 (0.65) | HCAR2GPR84PPARGPPARDPPARA | |
| Fumaric Acid SCHEMBL3414625 | 1.00 | HCAR2 (0.65) | HCAR2GPR84PPARGPPARDPPARA | |
| Octane SCHEMBL6872114 | 1.00 | HCAR2 (0.65) | HCAR2GPR84PPARGPPARDPPARA | |
| Decane SCHEMBL9668679 | 1.00 | HCAR2 (0.65) | HCAR2GPR84PPARGPPARDPPARA | |
| Octane SCHEMBL2904002 | 1.00 | HCAR2 (0.65) | HCAR2GPR84PPARGPPARDPPARA | |
| Octane SCHEMBL6872110 | 1.00 | HCAR2 (0.65) | HCAR2GPR84PPARGPPARDPPARA | |
| Fumaric Acid SCHEMBL3414623 | 1.00 | HCAR2 (0.65) | HCAR2GPR84PPARGPPARDPPARA | |
| Octane SCHEMBL8193217 | 1.00 | HCAR2 (0.65) | HCAR2GPR84PPARGPPARDPPARA | |
| Nonane SCHEMBL8691965 | 1.00 | HCAR2 (0.65) | HCAR2GPR84PPARGPPARDPPARA | |
| Maleic Acid SCHEMBL18586300 | 1.00 | HCAR2 (0.65) | HCAR2GPR84PPARGPPARDPPARA |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101426790-B | Novel 1,4-diaza-bicyclo[3.2.2]nonyl oxadiazolyl derivatives and their medical use | NEUROSEARCH AS | 2012-03-14 | — | — | CN | claimed |
| CN-101426790-A | Novel 1,4-diaza-bicyclo[3.2.2]nonyl oxadiazolyl derivatives and their medical use | NEUROSEARCH AS (DK) | 2009-05-06 | — | — | CN | claimed |
| CN-101426790-B | Novel 1,4-diaza-bicyclo[3.2.2]nonyl oxadiazolyl derivatives and their medical use | NEUROSEARCH AS | 2012-03-14 | — | — | CN | disclosed |
| CN-101448828-B | 3-heteroaryl-3, 9-diazabicyclo [3.3.1] nonane derivatives as nicotinic acetylcholine receptor agonists | NEUROSEARCH A/S (DK) | 2011-12-07 | — | — | CN | disclosed |
| CN-101305004-B | Novel diazabicyclic aryl derivatives and their medical use | NEUROSEARCH AS | 2011-11-16 | — | — | CN | disclosed |
| CN-101952288-A | Novel compounds useful as modulators of nicotinic acetylcholine receptors 1 | NEUROSEARCH AS | 2011-01-19 | — | — | CN | disclosed |
| CN-101796054-A | Novel 1, 4-diaza-bicyclo [3.2.2] nonyl pyrimidinyl derivatives useful as nicotinic acetylcholine receptor ligands | NEUROSEARCH AS | 2010-08-04 | — | — | CN | disclosed |
| CN-101448828-A | 3-heteroaryl-3, 9-diazabicyclo [3.3.1] nonane derivatives as nicotinic acetylcholine receptor agonists | NEUROSEARCH AS (DK) | 2009-06-03 | — | — | CN | disclosed |
| CN-101432286-A | Novel 1 | NEUROSEARCH AS (DK) | 2009-05-13 | — | — | CN | disclosed |
| CN-101426790-A | Novel 1,4-diaza-bicyclo[3.2.2]nonyl oxadiazolyl derivatives and their medical use | NEUROSEARCH AS (DK) | 2009-05-06 | — | — | CN | disclosed |
| CN-101379062-A | 3,9-diazabicyclo [3.3.1] nonane derivatives and their use as monoamine neurotransmitter re-uptake inhibitors | NEUROSEARCH AS (DK) | 2009-03-04 | — | — | CN | disclosed |
| CN-1326857-C | Novel 1,4-diazabicycloalkane derivatives, their preparation and use | NEUROSEARCH AS (DK) | 2007-07-18 | — | — | CN | disclosed |
| CN-1913901-A | Diazabicyclic aryl derivatives as cholinergic receptor modulators | NEUROSEARCH AS (DK) | 2007-02-14 | — | — | CN | disclosed |
| CN-1684965-A | Novel 1,4-diazabicycloalkane derivatives, their preparation and use | NEUROSEARCH AS (DK) | 2005-10-19 | — | — | CN | disclosed |
| CN-1636996-A | Diazabicyclic derivatives as nicotinic acetylcholine receptor ligands | ABBOTT LAB (US) | 2005-07-13 | — | — | CN | disclosed |
| CN-1107066-C | Diaza-spiro [3,5] nonane derivatives | HOFFMANN LA ROCHE (CH) | 2003-04-30 | — | — | CN | disclosed |
| CN-1345320-A | Diazabicyclic derivatives as nicotinic acetylcholine receptor ligands | ABBOTT LAB (US) | 2002-04-17 | — | — | CN | disclosed |
| CN-1242366-A | Diaza-spiro [3,5] nonane derivatives | HOFFMANN LA ROCHE (CH) | 2000-01-26 | — | — | CN | disclosed |
| US-5834499-A | TREATING GASTROINTESTINAL DISORDERS | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1998-11-10 | — | — | US | disclosed |
| CN-1143364-A | 5-HT3 receptor agonist, novel thiazole derivative, and intermediate thereof | YAMANOUCHI PHARMA CO LTD (JP) | 1997-02-19 | — | — | CN | disclosed |