Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of U-50488 Methane Sulfonate. 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 | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 6/20 | 0.98 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.98 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.98 |
| ▸ | PMP22 | Q01453 | 4/20 | 0.98 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.98 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.98 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.88 |
| ▸ | OPRD1 | P41143 | 5/20 | 0.88 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.88 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.88 |
| ▸ | TSHR | P16473 | 3/20 | 0.88 |
| ▸ | TP53 | P04637 | 2/20 | 0.88 |
| ▸ | MEN1 | O00255 | 1/20 | 0.88 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.88 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.88 |
| ▸ | MTOR | P42345 | 1/20 | 0.88 |
| ▸ | RAB9A | P51151 | 1/20 | 0.88 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.88 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.88 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.88 |
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 | |
|---|---|---|---|---|
| U-50488 Methane Sulfonate SCHEMBL2274248 | 1.00 | OPRK1 (0.98) | OPRK1CYP3A4CYP2D6PMP22NFKB1 | |
| (-)-U-50488 SCHEMBL31607484 | 0.99 | OPRK1 (1.00) | OPRK1CYP3A4CYP2D6PMP22NFKB1 | |
| U-50488 Methane Sulfonate SCHEMBL29878872 | 0.99 | OPRK1 (1.00) | OPRK1CYP3A4CYP2D6PMP22NFKB1 | |
| U-50488 Methane Sulfonate SCHEMBL29412563 | 0.99 | OPRK1 (1.00) | OPRK1CYP3A4CYP2D6PMP22NFKB1 | |
| U-50488 Methane Sulfonate SCHEMBL3174432 | 0.99 | OPRK1 (1.00) | OPRK1CYP3A4CYP2D6PMP22NFKB1 | |
| U-50488 Methane Sulfonate SCHEMBL548872 | 0.99 | OPRK1 (1.00) | OPRK1CYP3A4CYP2D6PMP22NFKB1 | |
| U-50488 Methane Sulfonate SCHEMBL332192 | 0.94 | SIGMAR1 (1.00) | OPRK1CYP3A4CYP2D6PMP22NFKB1 | |
| U-50488 Methane Sulfonate SCHEMBL10340090 | 0.94 | SIGMAR1 (1.00) | OPRK1CYP3A4CYP2D6PMP22NFKB1 | |
| U-50488 Methane Sulfonate SCHEMBL16302924 | 0.94 | SIGMAR1 (1.00) | OPRK1CYP3A4CYP2D6PMP22NFKB1 | |
| U-50488 Methane Sulfonate SCHEMBL14367910 | 0.94 | SIGMAR1 (1.00) | OPRK1CYP3A4CYP2D6PMP22NFKB1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6468971-B1 | Maintaining kidney function during surgery or trauma | BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE | 2002-10-22 | — | — | US | claimed |
| US-20240180895-A1 | USE OF KAPPA OPIOID RECEPTOR AGONISTS TO TREAT CARDIOVASCULAR DISEASE | BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE | 2024-06-06 | — | — | US | disclosed |
| US-20230181569-A1 | COMPOSITIONS AND METHODS TO TREAT POLYCYSTIC KIDNEY DISEASE | UNIV LOUISIANA STATE (US) | 2023-06-15 | — | — | US | disclosed |
| WO-2022198129-A1 | USE OF KAPPA OPIOID RECEPTOR AGONISTS TO TREAT CARDIOVASCULAR DISEASE | BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) | 2022-09-22 | — | — | WO | disclosed |
| US-8975259-B2 | Compositions and methods for inhibiting G protein signaling | UNIVERSITY OF ROCHESTER (US) | 2015-03-10 | — | — | US | disclosed |
| US-20110195433-A1 | Methods for Screening of Opioid Receptor Neutral Antagonists and Inverse Agonists and Uses Thereof | THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) | 2011-08-11 | — | — | US | disclosed |
| US-20100130505-A1 | COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING | UNIVERSITY OF ROCHESTER (US) | 2010-05-27 | — | — | US | disclosed |
| EP-1218337-B1 | SYNTHESIS OF 3,5,7|-1H-IMIDAZO 1,5-A|IMIDAZOL-2(3H)-ONE COMPOUNDS | TORREY PINES INST (US) | 2007-10-31 | — | — | EP | disclosed |
| US-6861523-B2 | 1,3,5- trisubstituted-1,3,5-triazine-2,4,6-trione compounds and libraries | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 2005-03-01 | — | — | US | disclosed |
| US-6664282-B2 | For preparing and using libraries of compounds as well as individual compounds of the libraries; for screening compounds for combinatorial chemistry | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES | 2003-12-16 | — | — | US | disclosed |
| US-20030186320-A1 | 1,3,5- trisubstituted-1,3,5-triazine-2,4,6-trione compounds and libraries | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES | 2003-10-02 | — | — | US | disclosed |
| US-6545032-B1 | Combinatorial libraries | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES | 2003-04-08 | — | — | 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 (4 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-20030186320-A1 | 1,3,5- trisubstituted-1,3,5-triazine-2,4,6-trione compounds and libraries | CDK15, CUL5, UTS2R | OPRK1 3807/4885CYP3A4 1889/4885CYP2D6 3409/4885 |
| US-20100130505-A1 | COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING | GNAI1, GNAI3, GNAI2 | OPRK1 575/4885CYP3A4 4860/4885CYP2D6 4869/4885 |
| US-20230181569-A1 | COMPOSITIONS AND METHODS TO TREAT POLYCYSTIC KIDNEY DISEASE | OPRK1, OPRL1, AVPR1A | OPRK1 1/4885CYP3A4 4231/4885CYP2D6 3621/4885 |
| US-20240180895-A1 | USE OF KAPPA OPIOID RECEPTOR AGONISTS TO TREAT CARDIOVASCULAR DISEASE | OPRK1, OPRL1, OPRM1 | OPRK1 1/4885CYP3A4 1849/4885CYP2D6 907/4885 |
“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.