Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.57 |
| ▸ | ACHE | P22303 | 2/20 | 0.52 |
| ▸ | MAOB | P27338 | 2/20 | 0.52 |
| ▸ | ESR1 | P03372 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL6800713 | 0.94 | HRH3 (0.57) | HRH3ACHEMAOBESR1 | |
| SCHEMBL6796442 | 0.92 | HRH3 (0.58) | HRH3ACHEMAOB | |
| SCHEMBL6796544 | 0.88 | ESR1 (0.57) | HRH3ESR1 | |
| SCHEMBL6797161 | 0.83 | ESR1 (0.58) | HRH3ESR1 | |
| SCHEMBL6794626 | 0.81 | METAP1 (0.51) | ACHEMAOB | |
| SCHEMBL6801025 | 0.81 | HRH3 (0.57) | HRH3ESR1 | |
| SCHEMBL6796017 | 0.81 | HRH3 (0.49) | HRH3ACHEMAOB | |
| SCHEMBL6799095 | 0.77 | ACHE (0.53) | HRH3ACHEMAOBESR1 | |
| SCHEMBL6800759 | 0.77 | ESR1 (0.47) | HRH3ACHEMAOBESR1 | |
| Oxalic Acid SCHEMBL6798087 | 0.76 | ACHE (0.51) | HRH3ACHEMAOBESR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040082642-A1 | Novel estrogen receptor ligands and method III | MERCK & CO., INC. | 2004-04-29 | — | — | 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 (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-20040082642-A1 | Novel estrogen receptor ligands and method III | ESRRA, ESRRB, FSHR | HRH3 892/4885ACHE 689/4885MAOB 1020/4885 |
“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.