Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.69 |
| ▸ | TSHR | P16473 | 1/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.66 |
| ▸ | POLB | P06746 | 1/20 | 0.66 |
| ▸ | HPGD | P15428 | 1/20 | 0.66 |
| ▸ | CA1 | P00915 | 1/20 | 0.66 |
| ▸ | CA2 | P00918 | 1/20 | 0.66 |
| ▸ | CA9 | Q16790 | 1/20 | 0.66 |
| ▸ | MAPT | P10636 | 1/20 | 0.60 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.57 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.57 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.57 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL996398 | 0.86 | KEAP1 (0.71) | CXCR4TSHRCYP1A2HPGDCA1 | |
| SCHEMBL12530914 | 0.85 | TSHR (0.72) | TSHRCYP1A2POLBHPGDCA9 | |
| SCHEMBL1049418 | 0.85 | TSHR (0.68) | TSHRCA9MAPTCYP19A1KMT2A | |
| SCHEMBL27726116 | 0.85 | TSHR (0.72) | TSHRCYP1A2HPGDCA1CA2 | |
| SCHEMBL1287408 | 0.85 | TSHR (0.68) | TSHRPOLBCYP19A1KMT2APTPN1 | |
| SCHEMBL1287354 | 0.84 | POLB (0.65) | CXCR4TSHRCYP2C19CYP1A2CYP2C9 | |
| SCHEMBL4663044 | 0.82 | KEAP1 (0.76) | CXCR4CYP2C19CYP1A2CYP2C9POLB | |
| SCHEMBL6289448 | 0.82 | CYP19A1 (0.78) | CXCR4CYP1A2POLBCA1CA2 | |
| SCHEMBL19358855 | 0.82 | CXCR4 (1.00) | CXCR4TSHRCYP2C19CYP1A2CYP2C9 | |
| SCHEMBL1279547 | 0.81 | TSHR (1.00) | TSHRHPGDMAPTCYP19A1GAA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2456435-B1 | HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE | UNIV LELAND STANFORD JUNIOR (US) | 2015-06-24 | — | — | EP | disclosed |
| US-20120225862-A1 | HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE | AUCKLAND UNIVSERVICES LIMITED (NZ) | 2012-09-06 | — | — | US | disclosed |
| EP-2456435-A1 | HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE | The Board of Trustees of The Leland Stanford Junior University (US) | 2012-05-30 | — | — | EP | disclosed |
| WO-2011011514-A1 | HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2011-01-27 | — | — | 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-20120225862-A1 | HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE | BRDT, NISCH, PAICS | CXCR4 3954/4885TSHR 3930/4885CYP2C19 124/4885 |
“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.