Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.87 |
| ▸ | PGR | P06401 | 1/20 | 0.87 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.87 |
| ▸ | HTR1A | P08908 | 1/20 | 0.87 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.87 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.87 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.87 |
| ▸ | DRD1 | P21728 | 1/20 | 0.87 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.87 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.87 |
| ▸ | PDE4A | P27815 | 1/20 | 0.87 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.87 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.87 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.87 |
| ▸ | DRD3 | P35462 | 1/20 | 0.87 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.87 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.87 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.87 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.86 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.86 |
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 | |
|---|---|---|---|---|
| SCHEMBL13046429 | 0.94 | ESR1 (0.88) | ESR1PGRCHRM2HTR1AADRA2A | |
| Dronedarone SCHEMBL110363 | 0.93 | ESR1 (1.00) | ESR1PGRCHRM2HTR1AADRA2A | |
| Dronedarone SCHEMBL29533002 | 0.93 | ESR1 (1.00) | ESR1PGRCHRM2HTR1AADRA2A | |
| Dronedarone SCHEMBL4540209 | 0.93 | ESR1 (1.00) | ESR1PGRCHRM2HTR1AADRA2A | |
| Dronedarone SCHEMBL321382 | 0.92 | ESR1 (0.98) | ESR1PGRCHRM2HTR1AADRA2A | |
| Dronedarone SCHEMBL18074257 | 0.92 | ABCB11 (1.00) | ESR1PGRCHRM2HTR1AADRA2A | |
| Dronedarone SCHEMBL223035 | 0.92 | ABCB11 (1.00) | ESR1PGRCHRM2HTR1AADRA2A | |
| SCHEMBL9486299 | 0.92 | ESR1 (0.92) | ESR1PGRCHRM2HTR1AADRA2A | |
| Dronedarone SCHEMBL2472589 | 0.92 | ESR1 (0.98) | ESR1PGRCHRM2HTR1AADRA2A | |
| Dronedarone SCHEMBL29620421 | 0.92 | ABCB11 (1.00) | ESR1PGRCHRM2HTR1AADRA2A |
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-11872207-B2 | Dronedarone and derivatives thereof for treating cancer | MCMASTER UNIVERSITY (CA) | 2024-01-16 | — | — | US | disclosed |
| US-20200163930-A1 | COMPOUNDS FOR TREATING CANCER | MCMASTER UNIVERSITY (CA) | 2020-05-28 | — | — | 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-20200163930-A1 | COMPOUNDS FOR TREATING CANCER | TP53, VHL, HCCS | ESR1 1110/4885PGR 310/4885CHRM2 3557/4885 |
| US-11872207-B2 | Dronedarone and derivatives thereof for treating cancer | CYP27A1, CYP3A43, DHCR7 | ESR1 2901/4885PGR 1002/4885CHRM2 4255/4885 |
“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.