Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.51 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.51 |
| ▸ | LTA4H | P09960 | 1/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | HTR7 | P34969 | 1/20 | 0.44 |
| ▸ | HTR6 | P50406 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 8/20 | 0.43 |
| ▸ | MMP1 | P03956 | 2/20 | 0.43 |
| ▸ | MMP2 | P08253 | 2/20 | 0.43 |
| ▸ | MMP7 | P09237 | 2/20 | 0.43 |
| ▸ | MMP9 | P14780 | 2/20 | 0.43 |
| ▸ | MMP12 | P39900 | 2/20 | 0.43 |
| ▸ | MMP14 | P50281 | 2/20 | 0.43 |
| ▸ | MMP15 | P51511 | 2/20 | 0.43 |
| ▸ | MMP16 | P51512 | 2/20 | 0.43 |
| ▸ | MMP26 | Q9NRE1 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1021283 | 0.94 | ESR1 (0.53) | ESR1ESR2HRH3MMP1MMP2 | |
| SCHEMBL1019860 | 0.92 | EPHX2 (0.46) | ESR1ESR2HTR1ADRD2HTR7 | |
| SCHEMBL1022000 | 0.91 | MEN1 (0.46) | ESR1ESR2HTR1ADRD2HTR7 | |
| SCHEMBL1021841 | 0.91 | ESR1 (0.55) | ESR1ESR2LTA4HHTR1ADRD2 | |
| SCHEMBL1022552 | 0.91 | ESR1 (0.51) | ESR1ESR2LTA4HHTR1ADRD2 | |
| SCHEMBL1024879 | 0.89 | MMP1 (0.46) | ESR1ESR2MMP1MMP2MMP7 | |
| SCHEMBL3535445 | 0.87 | ESR1 (0.53) | ESR1ESR2LTA4HHTR1ADRD2 | |
| SCHEMBL1023175 | 0.86 | ESR1 (0.55) | ESR1ESR2HRH3MMP1MMP2 | |
| SCHEMBL1020703 | 0.86 | MMP1 (0.43) | ESR1ESR2MMP1MMP2MMP7 | |
| SCHEMBL1021277 | 0.86 | MMP1 (0.53) | ESR1ESR2HRH3MMP1MMP2 |
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 |