Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | HTR7 | P34969 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
| ▸ | LCK | P06239 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1021841 | 0.92 | ESR1 (0.55) | ESR1ESR2KDM4ECACNA1BHTR1A | |
| SCHEMBL1021934 | 0.91 | EPHX2 (0.46) | ESR1ESR2EPHX2MAPK14CA12 | |
| SCHEMBL1019860 | 0.91 | EPHX2 (0.46) | ESR1ESR2EPHX2MAPK14CA12 | |
| SCHEMBL1021498 | 0.89 | ESR1 (0.45) | ESR1ESR2DRD2HTR6ALDH1A1 | |
| SCHEMBL1022529 | 0.89 | ESR1 (0.47) | ESR1ESR2EPHX2KDM4ETP53 | |
| SCHEMBL1019184 | 0.86 | MMP1 (0.47) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL3536835 | 0.85 | MMP1 (0.47) | ESR1ESR2EPHX2KDM4EMAPK14 | |
| SCHEMBL1023240 | 0.85 | MMP1 (0.56) | ESR1ESR2EPHX2MMP1MMP2 | |
| SCHEMBL1020462 | 0.84 | ESR1 (0.40) | ESR1ESR2EPHX2CACNA1BMAPK14 | |
| SCHEMBL1023175 | 0.84 | ESR1 (0.55) | ESR1ESR2KDM4EALDH1A1KMT2A |
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 |