Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.48 |
| ▸ | NQO2 | P16083 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | TTR | P02766 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | BCR | P11274 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.39 |
| ▸ | TUBB | P07437 | 1/20 | 0.39 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL228003 | 0.84 | CYP1A1 (0.64) | CYP19A1NQO2ALDH1A1CYP2A6CYP1A1 | |
| SCHEMBL1663786 | 0.84 | ALDH1A1 (0.58) | CYP19A1NQO2ALDH1A1CYP2A6CYP1A1 | |
| Water SCHEMBL28227114 | 0.82 | CYP1A1 (0.61) | CYP19A1NQO2ALDH1A1CYP2A6CYP1A1 | |
| Formamide SCHEMBL28158838 | 0.80 | ALDH1A1 (0.52) | CYP19A1NQO2ALDH1A1CYP2A6CYP1A1 | |
| Formic Acid Methyl Ester SCHEMBL28071788 | 0.78 | CYP1A1 (0.56) | CYP19A1NQO2ALDH1A1CYP2A6CYP1A1 | |
| SCHEMBL378297 | 0.77 | CYP1A1 (0.58) | NQO2ALDH1A1CYP2A6CYP1A1CYP1B1 | |
| SCHEMBL29951799 | 0.77 | ALDH1A1 (0.50) | CYP19A1NQO2ALDH1A1CYP2A6CYP1A1 | |
| SCHEMBL5883049 | 0.77 | ALDH1A1 (0.50) | CYP19A1NQO2ALDH1A1CYP2A6CYP1A1 | |
| SCHEMBL29958196 | 0.77 | CYP1A1 (0.58) | NQO2ALDH1A1CYP2A6CYP1A1CYP1B1 | |
| SCHEMBL5800828 | 0.77 | ALDH1A1 (0.59) | CYP19A1NQO2ALDH1A1CYP1A1CYP1B1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |
| CN-102952062-B | Replace benzo-heterocycle compound and its preparation method and application | 中国医学科学院医药生物技术研究所 | 2016-06-08 | — | — | CN | disclosed |
| CN-102952062-A | Substituted benzoheterocyclic compounds and preparation method and application thereof | INST MEDICINAL BIOTECHNOLOGY | 2013-03-06 | — | — | CN | disclosed |
| WO-2012129423-A2 | BIOMARKER DISCOVERY IN COMPLEX BIOLOGICAL FLUID USING BEAD OR PARTICLE BASED LIBRARIES AND DIAGNOSTIC KITS AND THERAPEUTICS | OPKO PHARMACEUTICALS, LLC (US) | 2012-09-27 | — | — | WO | disclosed |
| EP-2468743-A1 | Nitrogen-containing bicyclic compounds useful as antibacterial agents | Toyama Chemical Co., Ltd. (JP) | 2012-06-27 | — | — | EP | disclosed |
| US-20120021530-A1 | HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS | WISCONSIN ALUMNI RESEARCH FOUNDATION | 2012-01-26 | — | — | US | disclosed |
| WO-2010141421-A1 | IDENTIFICATION OF SMALL MOLECULES RECOGNIZED BY ANTIBODIES IN SUBJECTS WITH NEURODEGENERATIVE DISEASES | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2010-12-09 | — | — | 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 (1 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-20120021530-A1 | HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS | DNPEP, PRKCSH, YWHAZ | CYP19A1 3778/4885NQO2 1932/4885ALDH1A1 3160/4885 |
“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.