Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.52 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.45 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.45 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 2/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 3/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.43 |
| ▸ | CDK1 | P06493 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2937585 | 0.87 | BAZ2B (0.51) | ESR2HSD17B1AKR1C3AKR1C2ESR1 | |
| SCHEMBL699796 | 0.85 | ALOX5 (0.55) | ALOX5ESR2HDAC7HSD17B10AKR1C3 | |
| SCHEMBL3040769 | 0.85 | HSD17B10 (0.58) | ALOX5ESR2HSD17B10AKR1C3AKR1C2 | |
| SCHEMBL10544051 | 0.85 | ALOX5 (0.55) | ALOX5ESR2HDAC7HSD17B10AKR1C3 | |
| SCHEMBL6480216 | 0.84 | AKR1C3 (0.51) | HDAC7AKR1C3AKR1C2AKR1C1MEN1 | |
| SCHEMBL11435938 | 0.83 | MAPT (0.53) | HDAC7HSD17B1MEN1KMT2APTPN1 | |
| SCHEMBL27448009 | 0.82 | MAOA (0.47) | ESR2HSD17B10HSD17B1MEN1KMT2A | |
| SCHEMBL1515691 | 0.81 | HDAC7 (0.68) | HDAC7HSD17B10MEN1KMT2ANFE2L2 | |
| SCHEMBL15677761 | 0.81 | BCAT2 (0.63) | ALOX5ESR2HSD17B10AKR1C3AKR1C2 | |
| SCHEMBL8678323 | 0.81 | HSP90AB1 (0.59) | ALOX5ESR2HDAC7HSD17B10AKR1C3 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6750213-B2 | BONE DISORDERS; UROGENITAL SYSTEM DISORDERS; ANTICANCER AGENTS | MERCK & CO., INC. | 2004-06-15 | — | — | US | disclosed |
| US-20030225132-A1 | Heterocyclic salts such as 3-(3-Hydroxyphenyl)-2-(4-(2-(1-pyrrolidinium)ethoxyphenol)-2,3-dihydro-1,4 -benzoxathiin-6-ol hydrochloride salt, used as estrane agonists, for phrophylaxis of bone disorders | DININNO FRANK P (US) | 2003-12-04 | — | — | US | disclosed |
| WO-2003086388-A1 | ESTROGEN RECEPTOR MODULATORS | MERCK & CO., INC. (US) | 2003-10-23 | — | — | WO | disclosed |
| WO-2003087073-A1 | ESTROGEN RECEPTOR MODULATORS | MERCK & CO., INC. (US) | 2003-10-23 | — | — | WO | disclosed |
| US-20020165226-A1 | Estrogen receptor modulators | MERCK & CO., INC. | 2002-11-07 | — | — | US | disclosed |
| EP-0410359-B1 | Substituted aminoalkoxy-benzene-derivatives | HOFFMANN LA ROCHE (CH) | 1994-01-26 | — | — | EP | disclosed |
| US-5214046-A | Synergistic mixtures, inhibitors of sterol biosynthesis | HOFFMANN-LA ROCHE INC. (US) | 1993-05-25 | — | — | US | disclosed |
| US-5106878-A | Synergistic effects with other fungicides | HOFFMANN-LA ROCHE INC. (US) | 1992-04-21 | — | — | US | disclosed |
| EP-0410359-A1 | Substituted aminoalkoxy-benzene-derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1991-01-30 | — | — | EP | 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-20020165226-A1 | Estrogen receptor modulators | ESRRA, GPER1, ESRRB | ALOX5 788/4885ESR2 4/4885HDAC7 1998/4885 |
| US-20030225132-A1 | Heterocyclic salts such as 3-(3-Hydroxyphenyl)-2-(4-(2-(1-pyrrolidinium)ethoxyphenol)-2,3-dihydro-1,4 -benzoxathiin-6-ol hydrochloride salt, used as estrane agonists, for phrophylaxis of bone disorders | GPER1, ESR2, ESR1 | ALOX5 3469/4885ESR2 2/4885HDAC7 831/4885 |
“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.