Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 7/20 | 0.62 |
| ▸ | CES1 | P23141 | 7/20 | 0.62 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | NPC1 | O15118 | 2/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | CASP3 | P42574 | 1/20 | 0.55 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.55 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.55 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.55 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.55 |
| ▸ | PLAAT4 | Q9UL19 | 1/20 | 0.55 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL9372200 | 0.88 | KEAP1 (0.55) | CES2CES1KEAP1ALDH1A1FFAR1 | |
| SCHEMBL8947362 | 0.88 | NPC1 (0.67) | CES2CES1KEAP1TDP1NPC1 | |
| SCHEMBL29242652 | 0.86 | CES1 (0.66) | CES2CES1TDP1NPC1RAB9A | |
| SCHEMBL14141728 | 0.84 | CES2 (0.75) | CES2CES1ALDH1A1TDP1MAPK1 | |
| SCHEMBL4279627 | 0.84 | KEAP1 (0.73) | CES2CES1KEAP1ALDH1A1FFAR1 | |
| SCHEMBL10343974 | 0.83 | RAB9A (0.62) | CES2CES1KEAP1ALDH1A1NPC1 | |
| SCHEMBL29078123 | 0.80 | KEAP1 (0.67) | CES2CES1KEAP1ALDH1A1FFAR1 | |
| SCHEMBL258545 | 0.80 | KEAP1 (0.67) | CES2CES1KEAP1ALDH1A1FFAR1 | |
| SCHEMBL11479618 | 0.80 | FFAR1 (0.61) | CES2CES1KEAP1ALDH1A1FFAR1 | |
| SCHEMBL340540 | 0.78 | CES2 (0.70) | CES2CES1HDAC8HDAC6 |
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 |
|---|---|---|---|---|---|---|---|
| JP-55038359-A | — | — | None | — | — | JP | disclosed |
| CN-106822349-B | Preparation method of Xinxin Shu capsule | 陕西东科制药有限责任公司 | 2020-02-14 | — | — | CN | disclosed |
| CN-105601483-A | Synthetic method of medical intermediate 1,4-diphenyl butanedione | UNIV WENZHOU MEDICAL | 2016-05-25 | — | — | CN | disclosed |
| CN-105601483-A | Synthetic method of medical intermediate 1,4-diphenyl butanedione | UNIV WENZHOU MEDICAL | 2016-05-25 | — | — | CN | disclosed |
| EP-0885192-B8 | DIHYDROPYRIDINE-, PYRIDINE-, BENZOPYRAN- ONE- AND TRIAZOLOQUINAZOLINE DERIVATIVE, THEIR PREPARATION AND THEIR USE AS ADENOSINE RECEPTOR ANTAGONISTS | US OF AMERICA REPRESENTED BY THE SECRETARY DEPT OF HEALTH AND HUMAN SERVICES (US) | 2012-05-16 | — | — | EP | disclosed |
| EP-2311806-A2 | Dihydropyridine-, pyridine-, benzopyranone- and triazoloquinazoline derivatives, their preparation and their use as adenosine receptor antagonists | The United States of America, Represented by the Secretary, Department of Health and Human Services (US) | 2011-04-20 | — | — | EP | disclosed |
| US-20100204245-A1 | Amino-pyridines As Inhibitors Of Beta-secretase | WYETH LLC (US) | 2010-08-12 | — | — | US | disclosed |
| US-7732457-B2 | Amino-pyridines as inhibitors of β-secretase | WYETH LLC (US) | 2010-06-08 | — | — | US | disclosed |
| US-20060173049-A1 | enzyme inhibitors such as 6-{2-(2-Chloro-phenyl)-5-[4-(pyrimidin-2-yloxy)-phenyl]pyrrol-1-ylmethyl}-pyridin-2-ylamine, used to treat beta-amyloid deposits and neurofibrillary tangles; Alzheimer's disease | WYETH (US) | 2006-08-03 | — | — | US | disclosed |
| US-6066642-A | FOR SELECTIVELY BLOCKING THE A3 ADENOSINE RECEPTOR OF A MAMMAL | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2000-05-23 | — | — | US | disclosed |
| EP-0885192-A1 | DIHYDROPYRIDINE-, PYRIDINE-, BENZOPYRAN- ONE- AND TRIAZOLOQUINAZOLINE DERIVATIVE, THEIR PREPARATION AND THEIR USE AS ADENOSINE RECEPTOR ANTAGONISTS | THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) | 1998-12-23 | — | — | EP | disclosed |
| WO-1997027177-A2 | DIHYDROPYRIDINE-, PYRIDINE-, BENZOPYRAN-4-ONE- AND TRIAZOLOQUINAZOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ADENOSINE RECEPTOR ANTAGONISTS | THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1997-07-31 | — | — | WO | disclosed |
| JP-S5538359-A | PREPARATION OF 2-(3-BENZOYLPHENYL)-PROPIONIC ACID | HAMARI YAKUHIN KOGYO KK | 1980-03-17 | — | — | JP | 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-20100204245-A1 | Amino-pyridines As Inhibitors Of Beta-secretase | BACE1, BACE2, APP | CES2 2332/4885CES1 1330/4885KEAP1 607/4885 |
| US-20060173049-A1 | enzyme inhibitors such as 6-{2-(2-Chloro-phenyl)-5-[4-(pyrimidin-2-yloxy)-phenyl]pyrrol-1-ylmethyl}-pyridin-2-ylamine, used to treat beta-amyloid deposits and neurofibrillary tangles; Alzheimer's disease | BACE1, BACE2, PSEN1 | CES2 1195/4885CES1 526/4885KEAP1 288/4885 |
“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.