Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.47 |
| ▸ | IGF1R | P08069 | 3/20 | 0.45 |
| ▸ | INSR | P06213 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | RECQL | P46063 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL16550376 | 0.81 | CYP2D6 (0.70) | ESR1ESR2CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL14995802 | 0.76 | ESR1 (0.57) | ESR1ESR2CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL10584005 | 0.73 | UGT2B7 (0.46) | CYP3A4CYP2D6SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL7502486 | 0.73 | UGT2B7 (0.46) | CYP3A4CYP2D6SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL6571270 | 0.72 | UGT2B7 (0.49) | CYP3A4CYP2D6SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL27548723 | 0.71 | HTR2A (0.49) | ESR1ESR2CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL19425427 | 0.71 | TDP1 (0.50) | ESR1ESR2CYP3A4CYP2D6SLC6A3 | |
| SCHEMBL10583568 | 0.71 | CYP2D6 (0.43) | CYP3A4CYP2D6SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL10583789 | 0.71 | CYP2D6 (0.43) | CYP3A4CYP2D6SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL10580403 | 0.71 | CYP2D6 (0.43) | CYP3A4CYP2D6SLC6A2SLC6A3SLC6A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1119351-A2 | USE OF CATECHOL DERIVATIVES AS PROTEINASE INHIBITORS | Grünenthal GmbH (DE) | 2001-08-01 | — | — | EP | claimed |
| WO-2000019989-A2 | USE OF CATECHOL DERIVATIVES AS PROTEINASE INHIBITORS | Grünenthal GmbH (DE) | 2000-04-13 | — | — | WO | claimed |