Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | CES1 | P23141 | 2/20 | 0.45 |
| ▸ | EGFR | P00533 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | SRC | P12931 | 1/20 | 0.42 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.40 |
| ▸ | CTSG | P08311 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11251444 | 0.83 | CYP1A2 (0.51) | CYP1A2CYP2D6CYP2C19CES1EGFR | |
| SCHEMBL1728463 | 0.79 | CES1 (0.52) | CYP2C19CES1KMT2AMAPTMAPK1 | |
| Hydrogen Peroxide SCHEMBL29060971 | 0.79 | CES1 (0.52) | CYP2C19CES1KMT2AMAPTMAPK1 | |
| SCHEMBL11261870 | 0.79 | CYP1A2 (0.51) | CYP1A2CYP2D6CYP2C19CES1EGFR | |
| SCHEMBL6328600 | 0.78 | CES1 (0.47) | CYP1A2CYP2D6CYP2C19CES1EGFR | |
| SCHEMBL11706272 | 0.78 | KMT2A (0.53) | CYP1A2CYP2D6CYP2C19CES1KMT2A | |
| SCHEMBL6223670 | 0.78 | RIPK1 (0.50) | CYP1A2CYP2D6CYP2C19CES1KMT2A | |
| SCHEMBL3933601 | 0.78 | CES1 (0.50) | CYP2C19CES1KMT2ARAB9ANPC1 | |
| SCHEMBL759622 | 0.78 | CES1 (0.50) | CYP2C19CES1KMT2AMAPTMAPK1 | |
| SCHEMBL23774849 | 0.77 | CES2 (0.54) | CES1KMT2ARAB9ANPC1PRSS1 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025128946-A1 | DEVICES AND METHODS OF MAKING AND USE THEREOF | THE METHODIST HOSPITAL (US) | 2025-06-19 | — | — | WO | disclosed |
| EP-4536139-A1 | DEVICES AND METHODS OF MAKING AND USE THEREOF | The Methodist Hospital (US) | 2025-04-16 | — | — | EP | disclosed |
| EP-4536138-A1 | DEVICES AND METHODS OF MAKING AND USE THEREOF | The Methodist Hospital (US) | 2025-04-16 | — | — | EP | disclosed |
| EP-4507825-A1 | COLLECTION PROBE AND METHODS OF USE THEREOF | Board of Regents, The University of Texas System (US) | 2025-02-19 | — | — | EP | disclosed |
| US-20240404619-A1 | Machine Learning and Molecular Simulation Based Methods for Enhancing Binding and Activity Prediction | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2024-12-05 | — | — | US | disclosed |
| WO-2024211329-A2 | DEVICES AND METHODS OF MAKING AND USE THEREOF | THE METHODIST HOSPITAL (US) | 2024-10-10 | — | — | WO | disclosed |
| US-12100485-B2 | Machine learning and molecular simulation based methods for enhancing binding and activity prediction | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2024-09-24 | — | — | US | disclosed |
| WO-2024044315-A1 | BIOENGINEERED SCAFFOLDS FOR VASCULAR GRAFTS AND METHODS OF USE THEREOF | WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) | 2024-02-29 | — | — | WO | disclosed |
| WO-2023244797-A1 | DEVICES AND METHODS OF MAKING AND USE THEREOF | THE METHODIST HOSPITAL SYSTEM (US) | 2023-12-21 | — | — | WO | disclosed |
| WO-2023244821-A1 | DEVICES AND METHODS OF MAKING AND USE THEREOF | THE METHODIST HOSPITAL SYSTEM (US) | 2023-12-21 | — | — | WO | disclosed |
| WO-2023200850-A1 | COLLECTION PROBE AND METHODS OF USE THEREOF | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2023-10-19 | — | — | WO | disclosed |
| US-11383084-B2 | Treatment of dermatological conditions via neuromodulation | PALO ALTO INVESTORS (US) | 2022-07-12 | — | — | US | disclosed |
| US-11213518-B2 | Ligands of the mu, kappa, and delta opioid receptors | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2022-01-04 | — | — | US | disclosed |
| EP-3762730-A1 | MACHINE LEARNING AND MOLECULAR SIMULATION BASED METHODS FOR ENHANCING BINDING AND ACTIVITY PREDICTION | The Board of Trustees of the Leland Stanford Junior University (US) | 2021-01-13 | — | — | EP | disclosed |
| US-20200345715-A1 | Ligands of the Mu, Kappa, and Delta Opioid Receptors | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY | 2020-11-05 | — | — | US | disclosed |
| WO-2019173407-A1 | MACHINE LEARNING AND MOLECULAR SIMULATION BASED METHODS FOR ENHANCING BINDING AND ACTIVITY PREDICTION | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2019-09-12 | — | — | WO | disclosed |
| US-20190272887-A1 | Machine Learning and Molecular Simulation Based Methods for Enhancing Binding and Activity Prediction | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2019-09-05 | — | — | US | disclosed |
| US-20180311499-A1 | Treatment of Dermatological Conditions via Neuromodulation | PALO ALTO INVESTORS | 2018-11-01 | — | — | US | 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-11213518-B2 | Ligands of the mu, kappa, and delta opioid receptors | OPRK1, OPRD1, OPRM1 | CYP1A2 1141/4885CYP2D6 302/4885CYP2C19 2110/4885 |
| US-20200345715-A1 | Ligands of the Mu, Kappa, and Delta Opioid Receptors | OPRK1, OPRD1, OPRM1 | CYP1A2 1141/4885CYP2D6 302/4885CYP2C19 2110/4885 |
“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.