Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 4/20 | 0.47 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.31 |
| ▸ | HTR3B | O95264 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | NCF1 | P14598 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | HTR1D | P28221 | 1/20 | 0.31 |
| ▸ | HTR1B | P28222 | 1/20 | 0.31 |
| ▸ | HTR7 | P34969 | 1/20 | 0.31 |
| ▸ | MTOR | P42345 | 1/20 | 0.31 |
| ▸ | HTR3A | P46098 | 1/20 | 0.31 |
| ▸ | HTR5A | P47898 | 1/20 | 0.31 |
| ▸ | HTR6 | P50406 | 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 | |
|---|---|---|---|---|
| SCHEMBL13495066 | 0.92 | CXCR4 (0.52) | CXCR4ADRB1HTR2AHTR2CSLC6A4 | |
| SCHEMBL9207672 | 0.82 | CXCR4 (0.58) | CXCR4ADRB1HTR2AHTR2CSLC6A4 | |
| SCHEMBL8235408 | 0.80 | CXCR4 (0.56) | CXCR4ADRB1HTR2AHTR2CSLC6A4 | |
| SCHEMBL29520740 | 0.80 | CXCR4 (0.56) | CXCR4ADRB1HTR2AHTR2CSLC6A4 | |
| SCHEMBL13566517 | 0.80 | CXCR4 (0.43) | CXCR4ADRB1HTR2AHTR2CSLC6A4 | |
| SCHEMBL1673295 | 0.80 | CXCR4 (0.56) | CXCR4ADRB1HTR2AHTR2CSLC6A4 | |
| SCHEMBL31649015 | 0.76 | CXCR4 (0.53) | CXCR4ADRB1HTR2AHTR2CSLC6A4 | |
| SCHEMBL16942426 | 0.76 | CXCR4 (0.45) | CXCR4ADRB1HTR2AHTR2CSLC6A4 | |
| SCHEMBL14206482 | 0.73 | CXCR4 (0.50) | CXCR4ADRB1HTR2AHTR2CSLC6A4 | |
| SCHEMBL14274068 | 0.73 | CXCR4 (0.38) | CXCR4TSHRHSD17B10KDM4EALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11827653-B2 | Tridentate macrocyclic compounds | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2023-11-28 | — | — | US | disclosed |
| US-11827653-B2 | Tridentate macrocyclic compounds | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2023-11-28 | — | — | US | disclosed |
| US-20230040709-A1 | TRIDENTATE MACROCYCLIC COMPOUNDS | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2023-02-09 | — | — | 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-20230040709-A1 | TRIDENTATE MACROCYCLIC COMPOUNDS | CBR3, NOX3, CYB5R3 | CXCR4 3710/4885ADRB1 3612/4885HTR2A 4347/4885 |
| US-11827653-B2 | Tridentate macrocyclic compounds | CBR3, NOX3, CYB5R3 | CXCR4 3710/4885ADRB1 3612/4885HTR2A 4347/4885 |
“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.