Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.44 |
| ▸ | LTA4H | P09960 | 3/20 | 0.44 |
| ▸ | HTR1A | P08908 | 5/20 | 0.41 |
| ▸ | HTR7 | P34969 | 5/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | HTR6 | P50406 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | MMP7 | P09237 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.38 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.38 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1020938 | 0.91 | MMP1 (0.43) | ESR1ESR2LTA4HHTR1AHTR7 | |
| SCHEMBL5175084 | 0.90 | ESR1 (0.42) | ESR1ESR2LTA4HHTR1AHTR7 | |
| SCHEMBL1020682 | 0.89 | LTA4H (0.45) | ESR1ESR2LTA4HHTR1AHTR7 | |
| SCHEMBL1021841 | 0.88 | ESR1 (0.55) | ESR1ESR2LTA4HHTR1AHTR7 | |
| SCHEMBL1021775 | 0.87 | LTA4H (0.42) | ESR1ESR2LTA4HHTR1AHTR7 | |
| SCHEMBL1020936 | 0.85 | MMP1 (0.47) | ESR1ESR2LTA4HHTR1AHTR7 | |
| SCHEMBL1021151 | 0.80 | MMP1 (0.41) | ESR1ESR2LTA4HHTR1AHTR7 | |
| SCHEMBL1022530 | 0.80 | ESR1 (0.47) | ESR1ESR2HTR1AHTR7DRD2 | |
| SCHEMBL1023175 | 0.79 | ESR1 (0.55) | ESR1ESR2KDM4EMMP1MMP7 | |
| SCHEMBL1021774 | 0.79 | LTA4H (0.43) | ESR1ESR2LTA4HKDM4ESMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1869001-B1 | SUBSTITUTED TETRAHYDROISOCHINOLINES AS MMP INHIBITORS, RELATED PRODUCTION METHOD AND USE AS MEDICINE | SANOFI AVENTIS (FR) | 2011-01-12 | — | — | EP | disclosed |
| EP-1869001-A1 | SUBSTITUTED TETRAHYDROISOCHINOLINES AS MMP INHIBITORS, RELATED PRODUCTION METHOD AND USE AS MEDICINE | Sanofi-Aventis (FR) | 2007-12-26 | — | — | EP | disclosed |
| WO-2006102998-A1 | SUBSTITUTED TETRAHYDROISOCHINOLINES AS MMP INHIBITORS, RELATED PRODUCTION METHOD AND USE AS MEDICINE | SANOFI-AVENTIS (DE) | 2006-10-05 | — | — | WO | disclosed |