Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.54 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | TTR | P02766 | 1/20 | 0.47 |
| ▸ | DPP4 | P27487 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4683430 | 1.00 | ESR1 (0.54) | ESR1ESR2HPGDMAPTKDM4E | |
| SCHEMBL7974045 | 0.87 | TTR (0.51) | HPGDMAPTKDM4EALDH1A1TTR | |
| SCHEMBL7974049 | 0.87 | TTR (0.51) | HPGDMAPTKDM4EALDH1A1TTR | |
| SCHEMBL8194154 | 0.83 | TTR (0.54) | HPGDMAPTKDM4EALDH1A1TTR | |
| SCHEMBL8194148 | 0.83 | TTR (0.54) | HPGDMAPTKDM4EALDH1A1TTR | |
| SCHEMBL20995788 | 0.82 | TTR (0.51) | HPGDMAPTKDM4EALDH1A1TTR | |
| SCHEMBL20995789 | 0.82 | TTR (0.51) | HPGDMAPTKDM4EALDH1A1TTR | |
| SCHEMBL19643712 | 0.82 | ESR1 (0.47) | ESR1ESR2HPGDMAPTKDM4E | |
| SCHEMBL31680147 | 0.82 | ESR1 (0.47) | ESR1ESR2HPGDMAPTKDM4E | |
| SCHEMBL20509947 | 0.82 | TTR (0.53) | HPGDMAPTKDM4EALDH1A1TTR |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1392306-B1 | SUBSTITUTED TETRAHYDROISOQUINOLINES FOR USE IN THE TREATMENT OF INFLAMMATORY DISEASES | AVENTIS PHARMA LTD (GB) | 2008-01-16 | — | — | EP | disclosed |
| US-7211586-B2 | Substituted tetrahydroisoquinolines | AVENTIS PHARMA LIMITED (GB) | 2007-05-01 | — | — | US | disclosed |
| US-20040122047-A1 | Substituted tetrahydroisoquinolines | AVENTIS PHARMA LIMITED (GB) | 2004-06-24 | — | — | US | disclosed |
| EP-1392306-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINES FOR USE IN THE TREATMENT OF INFLAMMATORY DISEASES | Aventis Pharma Limited (GB) | 2004-03-03 | — | — | EP | disclosed |
| EP-1383751-A1 | NOVEL AZOLES HAVING AN INSECTICIDAL ACTION | Bayer CropScience AG (DE) | 2004-01-28 | — | — | EP | disclosed |
| WO-2002098426-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINES FOR USE IN THE TREATMENT OF INFLAMMATORY DISEASES | AVENTIS PHARMA LIMTIED (GB) | 2002-12-12 | — | — | WO | disclosed |
| WO-2002085870-A1 | NOVEL AZOLES HAVING AN INSECTICIDAL ACTION | BAYER CROPSCIENCE AG (DE) | 2002-10-31 | — | — | WO | 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-20040122047-A1 | Substituted tetrahydroisoquinolines | VCAM1, ITGA1, ITGB3 | ESR1 1482/4885ESR2 810/4885HPGD 991/4885 |
“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.