Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 6/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.33 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CCNC | P24863 | 1/20 | 0.33 |
| ▸ | CDK8 | P49336 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | PLAU | P00749 | 1/20 | 0.32 |
| ▸ | CDC7 | O00311 | 1/20 | 0.31 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.31 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1499227 | 0.73 | MKNK1 (0.40) | PLK1HDAC8HDAC6HDAC2HPGD | |
| SCHEMBL4986967 | 0.69 | SMN1; SMN2 (0.36) | HPGDTSHRHTTSMN1; SMN2BRD4 | |
| SCHEMBL2706420 | 0.69 | HPGD (0.42) | HDAC8HDAC6HDAC2HPGDMKNK1 | |
| SCHEMBL4988302 | 0.67 | SMN1; SMN2 (0.39) | HPGDHTTSMN1; SMN2GAA | |
| SCHEMBL7453239 | 0.65 | PTPN11 (0.36) | PLK1HDAC8HDAC6HDAC2MKNK1 | |
| SCHEMBL22018098 | 0.64 | HCAR2 (0.57) | PLK1HDAC8HDAC6HDAC2HPGD | |
| SCHEMBL12471260 | 0.61 | HCAR2 (0.34) | HDAC8HDAC6HDAC2MKNK1MKNK2 | |
| SCHEMBL21964163 | 0.61 | GAA (0.40) | PLK1HDAC8HDAC6HDAC2HPGD | |
| SCHEMBL3550216 | 0.61 | KEAP1 (0.36) | HPGDHTTSMN1; SMN2CA2 | |
| SCHEMBL161696 | 0.61 | GAA (0.40) | PLK1HDAC8HDAC6HDAC2HPGD |
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-2606049-A2 | 2,5-METHANO-AND 2,5-ETHANO-TETRAHYDROBENZAZEPINE DERIVATIVES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | Albany Molecular Research, Inc. (US) | 2013-06-26 | — | — | EP | disclosed |
| WO-2012024397-A2 | 2,5-METHANO-AND 2,5-ETHANO-TETRAHYDROBENZAZEPINE DERIVATIVES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | ALBANY MOLECULAR RESEARCH, INC. (US) | 2012-02-23 | — | — | WO | disclosed |