Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 13/20 | 0.43 |
| ▸ | SLC6A12 | P48065 | 1/20 | 0.41 |
| ▸ | SLC6A13 | Q9NSD5 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 4/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10175523 | 1.00 | DRD4 (0.43) | DRD4SLC6A12SLC6A13HTR1ASLC6A2 | |
| SCHEMBL10144866 | 0.90 | DRD4 (0.45) | DRD4SLC6A12SLC6A13HTR1ASLC6A2 | |
| SCHEMBL10175958 | 0.87 | HDAC3 (0.44) | DRD4SLC6A12SLC6A13HTR1A | |
| SCHEMBL14765419 | 0.83 | DRD4 (0.42) | DRD4SLC6A12SLC6A13 | |
| SCHEMBL10194566 | 0.80 | ALDH1A1 (0.40) | HTR1ASLC6A2SLC6A4 | |
| SCHEMBL8346658 | 0.69 | DRD4 (0.64) | DRD4SLC6A12SLC6A13HTR1A | |
| SCHEMBL10144870 | 0.68 | DRD4 (0.60) | DRD4SLC6A12SLC6A13 | |
| SCHEMBL6132542 | 0.67 | HDAC3 (0.52) | — | |
| SCHEMBL14217565 | 0.66 | SMN1; SMN2 (0.41) | HTR1ASLC6A2SLC6A4 | |
| SCHEMBL6538969 | 0.66 | HDAC3 (0.51) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8394831-B2 | Carbonylamino-derivatives as novel inhibitors of histone deacetylase | JANSSEN PHARMACEUTICA, N.V. (BE) | 2013-03-12 | — | — | US | disclosed |