Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | CES2 | O00748 | 1/20 | 0.53 |
| ▸ | CES1 | P23141 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.52 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL3649103 | 0.92 | CES2 (0.57) | ALDH1A1CES2CES1LMNANAPRT | |
| Methyl Alcohol SCHEMBL27566724 | 0.90 | ALDH1A1 (0.65) | ALDH1A1CES2CES1LMNANAPRT | |
| SCHEMBL61183 | 0.88 | — | — | |
| SCHEMBL4914089 | 0.88 | CES2 (0.67) | ALDH1A1CES2CES1LMNANAPRT | |
| SCHEMBL1505348 | 0.88 | — | — | |
| Acetamide SCHEMBL28279496 | 0.86 | ALDH1A1 (0.67) | ALDH1A1CES2CES1LMNANAPRT | |
| Fluoromethane SCHEMBL27831743 | 0.86 | ALDH1A1 (0.61) | ALDH1A1CES2CES1LMNANAPRT | |
| SCHEMBL9094627 | 0.86 | CES2 (0.64) | ALDH1A1CES2CES1LMNANAPRT | |
| Hydrochloric Acid SCHEMBL17493405 | 0.86 | CES2 (0.64) | ALDH1A1CES2CES1LMNANAPRT | |
| Ammonia Solution, Strong SCHEMBL902138 | 0.86 | CES2 (0.64) | ALDH1A1CES2CES1LMNANAPRT |
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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101636388-B | 637 pyridopyrimidinediones as PDE4 inhibitors | ASTRAZENECA AB | 2013-09-18 | — | — | CN | claimed |
| CN-1894246-B | Novel crystalline forms of 2,3-dimethyl-8-(2,6-dimethylbenzylamino)-n-hydroxyethyl-imidazo[1,2-a]pyridine-6-carboxamide mesylate salt | ASTRAZENECA AB | 2011-06-22 | — | — | CN | claimed |
| CN-1894246-A | Novel crystalline forms of 2,3-dimethyl-8-(2,6-dimethylbenzylamino)-n-hydroxyethyl-imidazo[1,2-a]pyridine-6-carboxamide mesylate salt | ASTRAZENECA AB (SE) | 2007-01-10 | — | — | CN | claimed |
| CN-1491104-A | Novel modified release formulation | — | 2004-04-21 | — | — | CN | claimed |
| CN-104147011-A | Uses of pyridine-diketone serving as PDE4 inhibitor for treating eye diseases | ASTRAZENECA AB | 2014-11-19 | — | — | CN | disclosed |
| CN-101636388-B | 637 pyridopyrimidinediones as PDE4 inhibitors | ASTRAZENECA AB | 2013-09-18 | — | — | CN | disclosed |
| CN-102532135-A | Chemical compounds 637: pyridopyrimidinediones as pde4 inhibitors | ASTRAZENECA AB | 2012-07-04 | — | — | CN | disclosed |
| CN-1894246-B | Novel crystalline forms of 2,3-dimethyl-8-(2,6-dimethylbenzylamino)-n-hydroxyethyl-imidazo[1,2-a]pyridine-6-carboxamide mesylate salt | ASTRAZENECA AB | 2011-06-22 | — | — | CN | disclosed |
| CN-101636388-A | Compound 637: pyridopyrimidinediones as PDE4 inhibitors | ASTRAZENECA AB | 2010-01-27 | — | — | CN | disclosed |
| CN-100343252-C | Novel imidazopyridine compounds with therapeutic effect | ASTRAZENECA AB (SE) | 2007-10-17 | — | — | CN | disclosed |
| US-20070112021-A1 | Novel crystalline forms of 2,3-dimethyl-8-(2,6-dimethylbenzylamino)-n-hydroxyethyl- imidazo [1,2-a] pyridine-6-carboxamide mesylate salt | TRAZENECA AB (SE) | 2007-05-17 | — | — | US | disclosed |
| CN-1305852-C | Diaryl ethers as opioid receptor antagonists | LILLY CO ELI (US) | 2007-03-21 | — | — | CN | disclosed |
| EP-0746320-B1 | HIV PROTEASE INHIBITORS AND INTERMEDIATES | LILLY CO ELI (US) | 2001-01-31 | — | — | EP | disclosed |
| US-5734057-A | VIRICIDE | ELI LILLY AND COMPANY (US) | 1998-03-31 | — | — | US | disclosed |
| EP-0744948-A4 | PROTEASE INHIBITORS | LILLY CO ELI (US) | 1997-06-11 | — | — | EP | disclosed |
| EP-0746320-A4 | HIV PROTEASE INHIBITORS AND INTERMEDIATES | LILLY CO ELI (US) | 1997-06-11 | — | — | EP | disclosed |
| EP-0746320-A1 | HIV PROTEASE INHIBITORS AND INTERMEDIATES | ELI LILLY AND COMPANY (US) | 1996-12-11 | — | — | EP | disclosed |
| EP-0744948-A1 | PROTEASE INHIBITORS | ELI LILLY AND COMPANY (US) | 1996-12-04 | — | — | EP | disclosed |
| WO-1995020962-A1 | PROTEASE INHIBITORS | ELI LILLY AND COMPANY (US) | 1995-08-10 | — | — | WO | disclosed |
| WO-1995020965-A1 | HIV PROTEASE INHIBITORS AND INTERMEDIATES | ELI LILLY AND COMPANY (US) | 1995-08-10 | — | — | WO | disclosed |