Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 19/20 | 0.40 |
| ▸ | RORC | P51449 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6332940 | 0.85 | HTR6 (0.51) | HTR6HTR1ADRD2CYP3A4 | |
| SCHEMBL6338134 | 0.83 | HTR6 (0.55) | HTR6CYP3A4 | |
| SCHEMBL6338175 | 0.82 | HTR6 (0.48) | HTR6RORCCYP3A4 | |
| SCHEMBL6166989 | 0.79 | HTR6 (0.56) | HTR6CYP3A4 | |
| SCHEMBL12968852 | 0.75 | PNMT (0.42) | — | |
| SCHEMBL15566251 | 0.74 | ALDH1A1 (0.49) | HTR6RORCHTR1ADRD2 | |
| SCHEMBL6331024 | 0.71 | HTR6 (0.52) | HTR6 | |
| SCHEMBL45741 | 0.71 | HTR6 (0.63) | HTR6RORCHTR1ADRD2CYP3A4 | |
| SCHEMBL31319736 | 0.71 | HTR6 (0.63) | HTR6RORCHTR1ADRD2CYP3A4 | |
| SCHEMBL6330560 | 0.68 | HTR6 (0.58) | HTR6HTR1ADRD2 |
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-6849644-B2 | Isoquinoline derivatives useful in the treatment of CNS disorders | SMITHKLINE BEECHAM P.L.C. (GB) | 2005-02-01 | — | — | US | claimed |