Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.50 |
| ▸ | OGG1 | O15527 | 1/20 | 0.49 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.48 |
| ▸ | TMPRSS2 | O15393 | 1/20 | 0.48 |
| ▸ | KCNA1 | Q09470 | 2/20 | 0.48 |
| ▸ | KCNAB1 | Q14722 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 3/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3153735 | 0.82 | ESR2 (0.53) | NLRP3NR3C1TMPRSS2KCNA1KCNAB1 | |
| SCHEMBL13757739 | 0.80 | DRD3 (0.60) | NLRP3ALDH1A1LMNAMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL3143290 | 0.79 | DRD3 (0.59) | NLRP3ALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL10239527 | 0.79 | HTR7 (0.54) | NLRP3NR3C1ALDH1A1LMNAMEN1 | |
| Hydrochloric Acid SCHEMBL9959509 | 0.78 | HTR7 (0.53) | NLRP3NR3C1ALDH1A1LMNAMEN1 | |
| SCHEMBL22104841 | 0.78 | OGG1 (0.67) | OGG1KCNA1KCNAB1LMNAKMT2A | |
| SCHEMBL9959434 | 0.74 | NLRP3 (0.51) | NLRP3NR3C1KCNA1KCNAB1ALDH1A1 | |
| SCHEMBL25591221 | 0.73 | HDAC6 (0.53) | ALDH1A1LMNAGAAUSP2HPGD | |
| SCHEMBL30470981 | 0.73 | HDAC6 (0.53) | ALDH1A1LMNAGAAUSP2HPGD | |
| SCHEMBL9959631 | 0.73 | HTR6 (0.63) | NLRP3LMNAMEN1KMT2ASMN1; SMN2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2007729-B1 | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS | ESTEVE LABOR DR (ES) | 2012-06-27 | — | — | EP | claimed |
| EP-2007729-B1 | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS | ESTEVE LABOR DR (ES) | 2012-06-27 | — | — | EP | disclosed |
| US-20090209528-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS | LABORATORIOS DEL DR. ESTEVE S.A. (ES) | 2009-08-20 | — | — | US | disclosed |
| US-20090209528-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS | LABORATORIOS DEL DR. ESTEVE S.A. (ES) | 2009-08-20 | — | — | US | disclosed |
| WO-2007107373-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS | LABORATORIOS DEL DR. ESTEVE S.A. (DE) | 2007-09-27 | — | — | 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-20090209528-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS | HTR6, HTR5A, HTR7 | NLRP3 757/4885OGG1 3227/4885NR3C1 741/4885 |
“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.