Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.56 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6796508 | 0.88 | ALDH1A1 (0.46) | ALDH1A1HSP90AA1HSP90AB1SMN1; SMN2L3MBTL1 | |
| SCHEMBL31096283 | 0.76 | ALDH1A1 (0.44) | ALDH1A1HSP90AA1HSP90AB1SMN1; SMN2L3MBTL1 | |
| SCHEMBL8371904 | 0.72 | ALDH1A1 (1.00) | ALDH1A1HSP90AA1HSP90AB1SMN1; SMN2L3MBTL1 | |
| SCHEMBL15032487 | 0.72 | ALDH1A1 (1.00) | ALDH1A1HSP90AA1HSP90AB1SMN1; SMN2L3MBTL1 | |
| SCHEMBL3994729 | 0.67 | L3MBTL1 (0.50) | ALDH1A1HSP90AA1HSP90AB1L3MBTL1CA1 | |
| SCHEMBL6806743 | 0.67 | L3MBTL1 (0.40) | ALDH1A1L3MBTL1CYP2D6HTTLMNA | |
| SCHEMBL25698875 | 0.66 | ALDH1A1 (0.53) | ALDH1A1HSP90AA1HSP90AB1SMN1; SMN2L3MBTL1 | |
| SCHEMBL21030440 | 0.65 | TDP2 (0.50) | ALDH1A1HSP90AA1HSP90AB1SMN1; SMN2L3MBTL1 | |
| SCHEMBL27556275 | 0.65 | PDK2 (0.50) | TDP1THRBPOLB | |
| SCHEMBL27818364 | 0.64 | THRB (0.40) | ALDH1A1HSP90AA1HSP90AB1L3MBTL1CA1 |
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 | ALDH1A1 1752/4885HSP90AA1 2081/4885HSP90AB1 2194/4885 |
“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.