Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Dioxane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTR | P02766 | 1/20 | 0.86 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | CRHBP | P24387 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Dioxane SCHEMBL2427 | 1.00 | — | — | |
| Dioxane SCHEMBL129563 | 1.00 | — | — | |
| Dioxane SCHEMBL21461950 | 0.94 | — | — | |
| SCHEMBL3137720 | 0.93 | TTR (1.00) | TTRALDH1A1MEN1KMT2ATSHR | |
| SCHEMBL1119 | 0.93 | TTR (1.00) | TTRALDH1A1MEN1KMT2ATSHR | |
| SCHEMBL11207601 | 0.93 | TTR (1.00) | TTRALDH1A1MEN1KMT2ATSHR | |
| Dioxane SCHEMBL9836999 | 0.93 | — | — | |
| SCHEMBL78595 | 0.93 | TTR (1.00) | TTRALDH1A1MEN1KMT2ATSHR | |
| SCHEMBL6057268 | 0.93 | TTR (1.00) | TTRALDH1A1MEN1KMT2ATSHR | |
| SCHEMBL16041435 | 0.93 | TTR (1.00) | TTRALDH1A1MEN1KMT2ATSHR |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0628032-B1 | QUINAZOLINONE ANTIANGINAL AGENTS | PFIZER LTD (GB) | 1998-05-13 | — | — | EP | claimed |
| JP-2525126-B2 | — | PFIZER | 1996-08-14 | — | — | JP | claimed |
| EP-0628032-A1 | QUINAZOLINONE ANTIANGINAL AGENTS | Pfizer Limited (GB) | 1994-12-14 | — | — | EP | claimed |
| WO-1993012095-A1 | QUINAZOLINONE ANTIANGINAL AGENTS | PFIZER LIMITED (GB) | 1993-06-24 | — | — | WO | claimed |
| US-7019027-B2 | 2-amino-3-aroyl-4,5 alkylthiophenes: agonist allosteric enhancers at human A1 adenosine receptors | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2006-03-28 | — | — | US | disclosed |
| US-20040180948-A1 | 2-Amino-3-aroyl-4,5 alkylthiophenes: agonist allosteric enhancers at human A1 adenosine receptors | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2004-09-16 | — | — | US | disclosed |
| US-6713638-B2 | TREATING ISCHEMIC DISEASE, CARDIAC ARRHYTHMIAS, CHRONIC PAIN, INDUCING SLEEP IN A MAMMAL | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2004-03-30 | — | — | US | disclosed |
| US-6562830-B1 | Compounds which prevent or induce the remission of existing precancerous or cancerous lesions or carcinomas would greatly reduce illness and death from cancer | CELL PATHWAYS, INC. | 2003-05-13 | — | — | US | disclosed |
| US-20030078248-A1 | 2-amino-3-aroyl-4,5 alkylthiophenes: agonist allosteric enhancers at human A1 adenosine receptors | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2003-04-24 | — | — | US | disclosed |
| EP-0628032-B1 | QUINAZOLINONE ANTIANGINAL AGENTS | PFIZER LTD (GB) | 1998-05-13 | — | — | EP | disclosed |
| US-5482941-A | Quinazolinone antianginal agents | PFIZER INC. (US) | 1996-01-09 | — | — | US | disclosed |
| EP-0628032-A1 | QUINAZOLINONE ANTIANGINAL AGENTS | Pfizer Limited (GB) | 1994-12-14 | — | — | EP | disclosed |
| WO-1993012095-A1 | QUINAZOLINONE ANTIANGINAL AGENTS | PFIZER LIMITED (GB) | 1993-06-24 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030078248-A1 | 2-amino-3-aroyl-4,5 alkylthiophenes: agonist allosteric enhancers at human A1 adenosine receptors | ADORA1, ADORA2A, ADORA3 | TTR 2738/4885ALDH1A1 521/4885MEN1 4473/4885 |
| US-20040180948-A1 | 2-Amino-3-aroyl-4,5 alkylthiophenes: agonist allosteric enhancers at human A1 adenosine receptors | ADORA1, ADORA2A, ADORA3 | TTR 2738/4885ALDH1A1 521/4885MEN1 4473/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.