Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 4/20 | 0.45 |
| ▸ | HTR2A | P28223 | 4/20 | 0.45 |
| ▸ | DRD3 | P35462 | 4/20 | 0.45 |
| ▸ | HTR2C | P28335 | 3/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.39 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 4/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 4/20 | 0.36 |
| ▸ | NAMPT | P43490 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18668630 | 0.85 | MTNR1A (0.47) | HTR1AHTR2ADRD3HTR2CDRD2 | |
| SCHEMBL18668677 | 0.83 | HTR1A (0.53) | HTR1AHTR2ADRD3HTR2CDRD2 | |
| SCHEMBL18668730 | 0.82 | HTR1A (0.48) | HTR1AHTR2ADRD3HTR2CDRD2 | |
| SCHEMBL3022513 | 0.76 | LMNA (0.49) | HDAC6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL3034455 | 0.76 | LMNA (0.49) | HDAC6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL18668712 | 0.75 | MTNR1A (0.36) | HTR1AHTR2ADRD3DRD2MTNR1A | |
| SCHEMBL15746886 | 0.70 | KIF11 (0.46) | — | |
| SCHEMBL5034406 | 0.69 | SMYD3 (0.51) | HTR1AHTR2ADRD3HTR2CDRD2 | |
| SCHEMBL12142024 | 0.68 | KIF11 (0.47) | — | |
| SCHEMBL4730904 | 0.68 | SMYD3 (0.52) | HTR1AHTR2ADRD3HTR2CDRD2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017053360-A1 | BICYCLIC AND TRICYCLIC CAP BEARING MERCAPTOACETAMIDE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2017-03-30 | — | — | WO | disclosed |