Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 16/20 | 0.44 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.43 |
| ▸ | GRM5 | P41594 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL4565599 | 0.82 | KEAP1 (0.48) | NAMPTRIPK1HDAC3 | |
| SCHEMBL4553143 | 0.81 | KEAP1 (0.50) | NAMPTRIPK1HDAC3 | |
| SCHEMBL4553128 | 0.76 | NAMPT (0.45) | NAMPT | |
| SCHEMBL4553200 | 0.75 | HSD11B1 (0.43) | — | |
| Tetrahydrofuran SCHEMBL28323243 | 0.72 | HDAC3 (0.40) | HDAC3 | |
| SCHEMBL29950507 | 0.72 | HDAC3 (0.43) | NAMPTHDAC3 | |
| SCHEMBL27872842 | 0.72 | HDAC3 (0.43) | NAMPTHDAC3 | |
| SCHEMBL304994 | 0.72 | HDAC3 (0.43) | NAMPTHDAC3 | |
| Hydrochloric Acid SCHEMBL7007436 | 0.70 | HDAC3 (0.43) | NAMPTHDAC3 | |
| SCHEMBL29493257 | 0.70 | HDAC3 (0.43) | NAMPTHDAC3 |
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-2125741-A1 | TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR | Janssen Pharmaceutica, N.V. (BE) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008109336-A1 | TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-09-12 | — | — | WO | disclosed |