Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of N-Desmethyltamoxifen. 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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.64 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.64 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.64 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.64 |
| ▸ | TACR1 known ✓ | P25103 | 1/20 | 0.64 |
| ▸ | BDKRB2 known ✓ | P30411 | 1/20 | 0.64 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.64 |
| ▸ | ESR1 | P03372 | 15/20 | 0.85 |
| ▸ | CYP19A1 | P11511 | 7/20 | 0.85 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.67 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.64 |
| ▸ | MAPT | P10636 | 2/20 | 0.64 |
| ▸ | ESRRG | P62508 | 2/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.64 |
| ▸ | MEN1 | O00255 | 1/20 | 0.64 |
| ▸ | NPC1 | O15118 | 1/20 | 0.64 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.64 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.64 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.64 |
| ▸ | EGFR | P00533 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| N-Desmethyltamoxifen SCHEMBL17164681 | 0.97 | ESR1 (0.90) | ESR1CYP19A1CYP3A4ESR2MAPT | |
| N-Desmethyltamoxifen SCHEMBL17746173 | 0.97 | ESR1 (0.90) | ESR1CYP19A1CYP3A4ESR2MAPT | |
| N-Desmethyltamoxifen SCHEMBL2739189 | 0.97 | ESR1 (0.90) | ESR1CYP19A1CYP3A4ESR2MAPT | |
| N-Desmethyltamoxifen SCHEMBL29816767 | 0.96 | ESR1 (0.88) | ESR1CYP19A1CYP3A4ESR2MAPT | |
| SCHEMBL15669002 | 0.92 | ESR1 (1.00) | ESR1CYP19A1CYP3A4ESR2MAPT | |
| Endoxifen SCHEMBL8655920 | 0.92 | ESR1 (1.00) | ESR1CYP19A1CYP3A4ESR2MAPT | |
| N-Desmethyltamoxifen SCHEMBL15270590 | 0.92 | ESR1 (0.81) | ESR1CYP19A1CYP3A4ESR2MAPT | |
| SCHEMBL23794109 | 0.92 | ESR1 (0.81) | ESR1CYP19A1CYP3A4ESR2MAPT | |
| Endoxifen SCHEMBL14391818 | 0.92 | ESR1 (1.00) | ESR1CYP19A1CYP3A4ESR2MAPT | |
| Endoxifen SCHEMBL10107920 | 0.92 | ESR1 (1.00) | ESR1CYP19A1CYP3A4ESR2MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220133747-A1 | ESTROGEN RECEPTOR INHIBITORS AND USES THEROF | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2022-05-05 | — | — | US | disclosed |
| EP-3801501-A1 | ESTROGEN RECEPTOR INHIBITORS AND USES THEROF | The Regents of the University of California (US) | 2021-04-14 | — | — | EP | 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-20220133747-A1 | ESTROGEN RECEPTOR INHIBITORS AND USES THEROF | ESR1, ESR2, ESRRG | CHRM2 4727/4885CHRM1 4747/4885CHRM3 4111/4885 |
“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.