Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.45 |
| ▸ | METAP1 | P53582 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | PPIB | P23284 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | MIF | P14174 | 5/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6800106 | 0.90 | MAOA (0.47) | CES2METAP1CA1CA2CA4 | |
| SCHEMBL6800097 | 0.90 | METAP1 (0.54) | METAP1CA1CA2CA4CA7 | |
| SCHEMBL6798898 | 0.90 | SMN1; SMN2 (0.43) | CES2METAP1CA1CA2CA4 | |
| SCHEMBL6799540 | 0.85 | PPIB (0.58) | METAP1CA1CA2CA4CA7 | |
| SCHEMBL6794708 | 0.85 | PBRM1 (0.46) | CES2CA1CA2CA7CA9 | |
| SCHEMBL6796152 | 0.83 | SMN1; SMN2 (0.53) | CES2METAP1CA1CA2CA4 | |
| SCHEMBL6794626 | 0.81 | METAP1 (0.51) | METAP1CA1CA2CA4CA7 | |
| SCHEMBL6799152 | 0.79 | METAP1 (0.49) | METAP1CA1CA2CA4CA7 | |
| SCHEMBL6806691 | 0.79 | ESR2 (0.46) | CA1CA2CA7CA9MAOA | |
| SCHEMBL12746567 | 0.78 | METAP1 (0.44) | METAP1CA1CA2CA4CA7 |
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 | CES2 3694/4885METAP1 4145/4885CA1 917/4885 |
“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.