Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.37 |
| ▸ | RIPK1 | Q13546 | 4/20 | 0.36 |
| ▸ | HTR1A | P08908 | 4/20 | 0.36 |
| ▸ | HTR2A | P28223 | 4/20 | 0.36 |
| ▸ | DRD3 | P35462 | 4/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 2/20 | 0.35 |
| ▸ | ADAMTS5 | Q9UNA0 | 2/20 | 0.35 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 2/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18668659 | 0.88 | MTNR1A (0.38) | DRD2DRD4MTNR1A | |
| SCHEMBL18668682 | 0.83 | MTNR1A (0.54) | DRD2MTNR1AHTR1AHTR2ADRD3 | |
| SCHEMBL18668712 | 0.82 | MTNR1A (0.36) | DRD2DRD4MTNR1ARIPK1HTR1A | |
| SCHEMBL18668651 | 0.79 | ESR1 (0.34) | DRD4HTR2AFFAR4HTR2CSRD5A1 | |
| SCHEMBL4763545 | 0.76 | ITGB3 (0.40) | MTNR1ARIPK1FFAR4SRD5A1GRIN2B | |
| SCHEMBL6194447 | 0.73 | TRPM5 (0.43) | MTNR1AHTR2AHTR2CSRD5A1 | |
| SCHEMBL18668649 | 0.71 | MTNR1A (0.54) | DRD2MTNR1AHTR1AHTR2ADRD3 | |
| SCHEMBL7171518 | 0.71 | NAMPT (0.37) | MTNR1AHTR1AHTR2ADRD3GRIN2B | |
| SCHEMBL10841342 | 0.70 | AR (0.43) | DRD4MTNR1AHTR2AHTR2CSRD5A1 | |
| SCHEMBL6196313 | 0.70 | ESR1 (0.39) | DRD4MTNR1AHTR2AFFAR4HTR2C |
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 |