Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Amrubicin. 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 | |
|---|---|---|---|---|
| ▸ | TOP2A known ✓ | P11388 | 3/20 | 0.57 |
| ▸ | CHRM1 | P11229 | 4/20 | 1.00 |
| ▸ | TBXA2R | P21731 | 3/20 | 1.00 |
| ▸ | PTGS1 | P23219 | 2/20 | 1.00 |
| ▸ | ADRA1A | P35348 | 2/20 | 1.00 |
| ▸ | MEN1 | O00255 | 9/20 | 0.57 |
| ▸ | THRB | P10828 | 9/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 9/20 | 0.57 |
| ▸ | BLM | P54132 | 8/20 | 0.57 |
| ▸ | RECQL | P46063 | 7/20 | 0.57 |
| ▸ | MAPT | P10636 | 6/20 | 0.57 |
| ▸ | BRCA1 | P38398 | 6/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.57 |
| ▸ | HIF1A | Q16665 | 6/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.57 |
| ▸ | S100A4 | P26447 | 5/20 | 0.57 |
| ▸ | HTT | P42858 | 5/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.57 |
| ▸ | USP2 | O75604 | 4/20 | 0.57 |
| ▸ | PAX8 | Q06710 | 4/20 | 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 | |
|---|---|---|---|---|
| Amrubicin SCHEMBL13091911 | 1.00 | CHRM1 (1.00) | CHRM1TBXA2RPTGS1ADRA1AMEN1 | |
| Amrubicin SCHEMBL6254801 | 1.00 | CHRM1 (1.00) | CHRM1TBXA2RPTGS1ADRA1AMEN1 | |
| Amrubicin SCHEMBL10061868 | 1.00 | CHRM1 (1.00) | CHRM1TBXA2RPTGS1ADRA1AMEN1 | |
| Amrubicin SCHEMBL10080133 | 1.00 | CHRM1 (1.00) | CHRM1TBXA2RPTGS1ADRA1AMEN1 | |
| Amrubicin SCHEMBL868435 | 1.00 | CHRM1 (1.00) | CHRM1TBXA2RPTGS1ADRA1AMEN1 | |
| Amrubicin SCHEMBL9140 | 1.00 | CHRM1 (1.00) | CHRM1TBXA2RPTGS1ADRA1AMEN1 | |
| Amrubicin SCHEMBL119022 | 1.00 | CHRM1 (1.00) | CHRM1TBXA2RPTGS1ADRA1AMEN1 | |
| Amrubicin SCHEMBL491010 | 0.99 | CHRM1 (0.98) | CHRM1TBXA2RPTGS1ADRA1AMEN1 | |
| Amrubicin SCHEMBL2524979 | 0.99 | CHRM1 (0.98) | CHRM1TBXA2RPTGS1ADRA1AMEN1 | |
| Amrubicin SCHEMBL23909356 | 0.97 | CHRM1 (0.95) | CHRM1TBXA2RPTGS1ADRA1AMEN1 |
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-10034851-B2 | Metal-salen complex compound, local anesthetic and antineoplastic drug | IHI CORPORATION (JP) | 2018-07-31 | — | — | US | disclosed |
| US-20120029167-A1 | AUTO MAGNETIC METAL SALEN COMPLEX COMPOUND | YOSHIHIRO ISHIKAWA (JP) | 2012-02-02 | — | — | 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-20120029167-A1 | AUTO MAGNETIC METAL SALEN COMPLEX COMPOUND | SDHB, SDHA, SLC40A1 | TOP2A 914/4885CHRM1 2748/4885TBXA2R 1980/4885 |
| US-10034851-B2 | Metal-salen complex compound, local anesthetic and antineoplastic drug | NCLN, KCNN2, NCSTN | TOP2A 490/4885CHRM1 2702/4885TBXA2R 2732/4885 |
“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.