Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 10/20 | 0.35 |
| ▸ | CTSS | P25774 | 9/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 4/20 | 0.34 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | ELANE | P08246 | 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 | |
|---|---|---|---|---|
| SCHEMBL182386 | 0.83 | ALDH1A1 (0.41) | ALDH1A1MEN1MAPTKMT2ACTSK | |
| Acetonitrile SCHEMBL28263241 | 0.76 | CTSK (0.36) | CTSKCTSSCTSLCTSBHDAC6 | |
| SCHEMBL28061441 | 0.76 | HDAC6 (0.36) | ALDH1A1CTSKHDAC6HDAC1HDAC2 | |
| Water SCHEMBL27716787 | 0.75 | DGAT1 (0.40) | ALDH1A1CTSKHDAC6HDAC1HDAC2 | |
| SCHEMBL433292 | 0.75 | MCL1 (0.48) | ALDH1A1MEN1MAPTKMT2AMCL1 | |
| SCHEMBL27849982 | 0.73 | MCL1 (0.46) | ALDH1A1MEN1MAPTKMT2AMCL1 | |
| SCHEMBL13819665 | 0.72 | HDAC6 (0.34) | HDAC6HDAC1HDAC2ELANE | |
| SCHEMBL848847 | 0.72 | HDAC6 (0.34) | HDAC6HDAC1HDAC2ELANE | |
| SCHEMBL28960055 | 0.72 | HDAC6 (0.46) | ALDH1A1MEN1KMT2AHDAC6HDAC1 | |
| SCHEMBL5452 | 0.72 | DGAT1 (0.42) | ALDH1A1MEN1KMT2AHDAC6HDAC1 |
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-2523957-A1 | TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | F. Hoffmann-La Roche AG (CH) | 2012-11-21 | — | — | EP | disclosed |
| WO-2011086053-A1 | TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2011-07-21 | — | — | WO | disclosed |